UCSF

ZINC00256143

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: 2-(4-Chloro-2-methylphenoxy)propanoic acid 2-(4-Chloro-2-methylphenoxy)prop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 352431-15-3 , 7085-19-0 , 882-09-7 , 93-65-2 , [53404-61-8] , [7085-19-0] , [93-65-2]

Other Names:

(2S)-2-(4-chloro-2-methylphenoxy)propionate; (S)-2-(4-chloro-2-methylphenoxy)propanoate

(S)-2-(4-chloro-2-methylphenoxy)propanoate

2,4-D and mecoprop; Erpanol; LS-121267; Mecoprop - 2,4-D mixt; Monosan kombi; Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (+-)-, mixt. with (2,4-dichlorophenoxy)acetic acid; Turf kleen; U 46KV combi-fluid

2-(2-Methyl-4-chlorophenoxy)propionic acid, sodium salt; EINECS 242-815-6; LS-124605; Mecoprop sodium salt; Mecoprop-sodium; Mecoprop-sodium [ISO]; Propionic acid, 2-((4-chloro-o-tolyl)oxy)-, sodium salt; Sodium 2-(4-chloro-2-methylphenoxy)propionate

2-(4-Chloro-2-methylphenoxy)propanoicacid

2-(4-Chloro-2-methylphenoxy)propionic acid

2-(4-Chlorophenoxy)-2-methylpropionic acid

2-(4-Chlorophenoxy)isobutyric acid

2-(4-Chlorophenoxy)isobutyric acid, 98%

93-65-2; C18742; Mecoprop

Acme industrial 10-51 brush killer; Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with N-methylmethanamine (1:1), mixt. with N-methylmethanamine 2-(4-chloro-2-methylphenoxy)propanoate and N-methylmethanamine (2,4-dichlorophenoxy)acetate; Kilmor; LS-36860

certified

Clofibric acid

LS-190737

LS-89396; Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, (+-)-, compd. with 2,2'-iminobis(ethanol) (1:1), mixt. with 2,2'-iminobis(ethanol) (2,4-dichlorophenoxy)acetate (salt); Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, compd. with 2,2'-iminobis(ethan

Mecoprop

Mecoprop-d3

MFCD00002648

MFCD00004192

propanoic acid, 2-(4-chloro-2-methylphenoxy)-

tris(2-Hydroxyethyl)ammonium 2-(4-chloro-2-methylphenoxy)propionate

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.66 7.14 -43.71 0 3 -1 49 213.64 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 119-120? Alfa-Aesar
Melting_Point 119-120° Alfa-Aesar
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT2A-2-E Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.68 Functional ≤ 10μM
5HT2B-1-E Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 93 0.70 Functional ≤ 10μM
5HT2C-1-E 5-hydroxytryptamine Receptor 2C (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.69 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 150 0.68 Functional ≤ 10μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 93 0.70 Functional ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 120 0.69 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Serotonin receptors

Analogs ( Draw Identity 99% 90% 80% 70% )