Y010-0272 Screening compound: 5-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid
Chemical Structure Depiction of ChemDiv screening compound Y010-0272
5-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
Y010-0272
Molecular Formula
C24H16ClNO6 (C24 H16 ClNO6)
Compound Name
5-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid
IUPAC name
5-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid
SMILES
OC(c(cc(cc1)N(C(C(C(c2ccccc2)=O)=C2O)c(cc3)ccc3Cl)C2=O)c1O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.85
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.712
Distribution Coefficient, logD
1.393
Water Solubility, LogSw
-4.74
Polar Surface Area
89.172
Acid Dissociation Constant (pKa)
4.08
Base Dissociation Constant (pKb)
-7.21
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
4.20
Y010-0272 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with Y010-0272 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)