User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (9)

ZINC41677456

• 41677456

Physical Representations

Activity (Go SEA)

• 46230106
  

  Analogs

  41677341

  

  41677345

  

  Popular Name: 1-(3,5-dichloro-2-pyridyl)-4-propyl-piperazine 1-(3,5-dichloro-2-pyridyl)-4-pro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB31229606

  • PubChem

    • 60412782

  • AKOS (make-on-demand)

    • AKOS008565768

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.36	8.61	-34.11	1	3	1	21	275.203	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.36	6.4	-2.27	0	3	0	19	274.195	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46230106
• 47162402
  

  Analogs

  41677456

  

  41677459

  

  Popular Name: N-[2-[(3,5-dichloro-2-pyridyl)amino]ethyl]propanamide N-[2-[(3,5-dichloro-2-pyridyl)am…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47211731

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.33	3.72	-8.14	2	4	0	54	262.14	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC47162402
• 48894681
  

  Analogs

  41677456

  

  41677459

  

  Popular Name: (3S)-3-[4-(3,5-dichloro-2-pyridyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(3,5-dichloro-2-pyridy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine-REAL

    • Z805476068

  • PubChem

    • 47371559

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.27	6.7	-8.17	0	4	0	43	299.205	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.27	8.6	-41.59	1	4	1	44	300.213	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48894681
• 48894683
  

  Analogs

  41677456

  

  41677459

  

  Popular Name: (3R)-3-[4-(3,5-dichloro-2-pyridyl)piperazin-1-yl]butanenitrile (3R)-3-[4-(3,5-dichloro-2-pyridy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine-REAL

    • Z805476068

  • PubChem

    • 47371559

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.27	6.62	-8.04	0	4	0	43	299.205	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.27	8.59	-41.49	1	4	1	44	300.213	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC48894683
• 3716158
  

  Analogs

  21793561

  

  21812928

  

  38581900

  

  41677456

  

  41677459

  

  Popular Name: 1-(3,5-dichloro-2-pyridinyl)piperazine 1-(3,5-dichloro-2-pyridinyl)pipe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ACB Blocks

    • ARP-0021

  • Labotest

    • LT03382352

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.89	4.2	-96.95	3	3	2	34	234.13	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03716158
• 19015156
  

  Analogs

  21793561

  

  21812928

  

  38581900

  

  41677456

  

  41677459

  

  Popular Name: 1-(3,5-dichloropyridin-2-yl)piperazine 1-(3,5-dichloropyridin-2-yl)pipe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK893708

  • Vitas-M BB

    • BBL021002

  • eMolecules

    • 706000

  • ACB Blocks

    • ARP-0021

  • Alfa-Aesar

    • H50896

  And 28 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.89	3.97	-40.37	2	3	1	33	233.122	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19015156
• 38581900
  

  Analogs

  41677456

  

  41677459

  

  21793561

  

  21812928

  

  Popular Name: 1-(3,5-dichloro-2-pyridyl)-4-(2-pyridyl)piperazine 1-(3,5-dichloro-2-pyridyl)-4-(2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 9311026

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.28	9.23	-29.46	1	4	1	34	310.208	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.28	8.92	-5.14	0	4	0	32	309.2	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38581900
• 20281870
  

  Analogs

  41677456

  

  41677459

  

  Popular Name: 1-(3,5-dichloropyridin-2-yl)-1,4-diazepane 1-(3,5-dichloropyridin-2-yl)-1,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-31025

  • EvoBlocks

    • EB11562

  • Molport BB

    • MolPort-004-292-949

  • Ryan Scientific BB

    • 000-26770

  • Scientific Exchange Building Blocks

    • F-416713

  And 6 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.16	4.48	-41.49	2	3	1	33	247.149	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20281870
• 19517376
  

  Analogs

  21793561

  

  21811314

  

  21811498

  

  21812928

  

  41675794

  

  Popular Name: N-(2-aminoethyl)-N-(3,5-dichloropyridin-2-yl)amine N-(2-aminoethyl)-N-(3,5-dichloro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-40834

  • EvoBlocks

    • EB11561

  • Molport BB

    • MolPort-004-351-045

  • Ryan Scientific BB

    • 000-31300

  • PubChem

    • 23293789

  And 4 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.15	1.87	-47.24	4	3	1	53	207.084	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19517376