ZINC 12

User Information

Not Authenticated — sign in

Active cart: Identified Compounds (14 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

This report ranks vendors by which sells the most compounds in your active cart. Click on Download to download all this information in tab delimited format suitable for reading in a spreadsheet program. Click on the vendor name to go to the vendor information page in ZINC. Click on "N available" to focus on this vendor's compounds only. Click on Send Quote Request to compose an email to the vendor. If the supplier code is clickable, it takes you directly to the vendor page for that compound. Click on the ZINC ID to go to the Molecule detail page. Click on the SMILES to perform find analogs of that compounds in ZINC. Hover over the smiles for the molecular structure.

Overview

Purchasable Compounds: 14 are for sale from 12 different vendors
Not Available Compounds: 0 are not for sale

Identified Compounds (Public by larosa423) Download

Catalogs to Purchase

Available Catalogs

eMolecules — 9 Available Email Quote Request
4839558 4840200 32171473 36359560 36963941 43154499 46623804 46625822

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
4089938	4840200	COC(=O)c1ccc(cc1)c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5	5	Z
49740994	4839558	c1cc(ccc1c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5)C(=O)[O-]	5	Z
58244511	32171473	c1ccc2cc(ccc2c1)c3cccc(n3)NC(=O)C4CCN(CC4)c5ccc(cn5)C#N	5	Z
69653423	36359560	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	36963941	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z
72468368	43154499	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z
95371028	46623804	C[C@@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95371029	46623804	C[C@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95372447	46625822	c1cc([nH+]c(c1)N2C[C@H]([C@@H]3[C@H]2C4CC[NH+]3CC4)c5ccc6c(c5)OCO6)C(=O)[O-]	3	Z

Molport — 8 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
4089938	MolPort-002-533-306	COC(=O)c1ccc(cc1)c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5	5	Z
49740994	MolPort-002-533-074	c1cc(ccc1c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5)C(=O)[O-]	5	Z
69653423	MolPort-020-042-305	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	MolPort-020-042-294	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z
72468368	MolPort-021-768-635	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z
95371028	MolPort-028-585-446	C[C@@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95371029	MolPort-028-585-446	C[C@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95372447	MolPort-028-586-455	c1cc([nH+]c(c1)N2C[C@H]([C@@H]3[C@H]2C4CC[NH+]3CC4)c5ccc6c(c5)OCO6)C(=O)[O-]	3	Z

Ambinter — 7 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
12088768	Amb20105796	Cc1cc(on1)c2cnc(nc2c3cccnc3C)NCCc4ccc(c(c4)OC)OC	3	Z
12144141	Amb20015689	CC(=O)Nc1ccc(cn1)C#CC2(CCCCC2)NC(=O)Cc3ccc4c(c3)OCCO4	3	Z
19286939	Amb20221907	Cc1ncc(c(n1)CCNC(=O)Cc2ccc3c(c2)OCO3)c4ccccn4	3	Z
58244511	Amb15767788	c1ccc2cc(ccc2c1)c3cccc(n3)NC(=O)C4CCN(CC4)c5ccc(cn5)C#N	5	Z
69653423	Amb19501221	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	Amb19501211	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z
72468368	Amb19720168	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z

Mcule Make-on-demand — 6 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
4089938	MCULE-6081723753	COC(=O)c1ccc(cc1)c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5	5	Z
49740994	MCULE-1222400338	c1cc(ccc1c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5)C(=O)[O-]	5	Z
58244511	MCULE-5913078147	c1ccc2cc(ccc2c1)c3cccc(n3)NC(=O)C4CCN(CC4)c5ccc(cn5)C#N	5	Z
69653423	MCULE-9284676395	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	MCULE-3495026997	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z
72468368	MCULE-4173050333	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z

Mcule — 6 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
4089938	MCULE-6081723753	COC(=O)c1ccc(cc1)c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5	5	Z
49740994	MCULE-1222400338	c1cc(ccc1c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5)C(=O)[O-]	5	Z
58244511	MCULE-5913078147	c1ccc2cc(ccc2c1)c3cccc(n3)NC(=O)C4CCN(CC4)c5ccc(cn5)C#N	5	Z
69653423	MCULE-9284676395	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	MCULE-3495026997	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z
72468368	MCULE-4173050333	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z

ChemBridge — 4 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
72468368	75583866	CCOc1ccc(cc1C(=O)[O-])c2ccnc(n2)NCCc3cccnc3	6	Z
95371028	52129762	C[C@@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95371029	52129762	C[C@]1(CCCN(C1)c2cccc([nH+]2)C(=O)[O-])Cc3ccc4c(c3)OCO4	3	Z
95372447	55591488	c1cc([nH+]c(c1)N2C[C@H]([C@@H]3[C@H]2C4CC[NH+]3CC4)c5ccc6c(c5)OCO6)C(=O)[O-]	3	Z

TimTec Make-on-Demand — 3 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
12088768	ST51086994	Cc1cc(on1)c2cnc(nc2c3cccnc3C)NCCc4ccc(c(c4)OC)OC	3	Z
12144141	ST51098351	CC(=O)Nc1ccc(cn1)C#CC2(CCCCC2)NC(=O)Cc3ccc4c(c3)OCCO4	3	Z
19286939	ST51100972	Cc1ncc(c(n1)CCNC(=O)Cc2ccc3c(c2)OCO3)c4ccccn4	3	Z

Enamine — 3 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
58244511	Z1033171142	c1ccc2cc(ccc2c1)c3cccc(n3)NC(=O)C4CCN(CC4)c5ccc(cn5)C#N	5	Z
69653423	Z1155704759	Cc1cnc(cn1)C(=O)Nc2cccc(n2)c3ccc4c(c3)CCO4	6	Z
71888359	Z1155698074	c1cc(nc(c1)NC(=O)c2cn[nH]n2)c3ccc4c(c3)OCCO4	6	Z

Asinex — 3 Available Email Quote Request
ADM13275756 AEM17465658 AOP17974072

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
12088768	ADM13275756	Cc1cc(on1)c2cnc(nc2c3cccnc3C)NCCc4ccc(c(c4)OC)OC	3	Z
12144141	AEM17465658	CC(=O)Nc1ccc(cn1)C#CC2(CCCCC2)NC(=O)Cc3ccc4c(c3)OCCO4	3	Z
19286939	AOP17974072	Cc1ncc(c(n1)CCNC(=O)Cc2ccc3c(c2)OCO3)c4ccccn4	3	Z

IBScreen NP — 2 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
4089938	STOCK1N-64975	COC(=O)c1ccc(cc1)c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5	5	Z
49740994	STOCK1N-64519	c1cc(ccc1c2cc-3[n+](c(c2C#N)N)CCc4c3cc5c(c4)OCO5)C(=O)[O-]	5	Z

Wisdom Chemicals — 1 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
77949221	1X1581-1XX-A1XX	c1cc(cc(c1)OC(F)(F)F)CNC(=O)c2ccc3c(n2)NC(=O)CC3	Only	Z

Enamine BB Make on Demand — 1 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
92858926	BBV-42540871	CCCNc1c(cc2c(n1)-c3cc(ccc3C2)OC)C#N	Only	Z

Non-Unique/Empty Catalogs

Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

#	ZINC ID	SMILES (Find Similar)	Score
1	4089938 4089938	Select Similar	Z
2	12088768 12088768	Select Similar	Z
3	12144141 12144141	Select Similar	Z
4	19286939 19286939	Select Similar	Z
5	49740994 49740994	Select Similar	Z
6	58244511 58244511	Select Similar	Z
7	69653423 69653423	Select Similar	Z
8	71888359 71888359	Select Similar	Z
9	72468368 72468368	Select Similar	Z
10	77949221 77949221	Select Similar	Z
11	92858926 92858926	Select Similar	Z
12	95371028 95371028	Select Similar	Z
13	95371029 95371029	Select Similar	Z
14	95372447 95372447	Select Similar	Z

Not for Sale:

The following compounds are not availabile from any known vendors:

#	ZINC ID	SMILES (Find Similar)	Score