8010-3966 Screening compound: 4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic acid

8010-3966 Screening compound: 4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic acid
8010-3966 Screening compound: 4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3966
4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic 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

8010-3966

Molecular Formula

C27H22ClNO5 (C27 H22 ClNO5)

Compound Name

4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic acid

IUPAC name

4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]-3-phenylbutanoic acid

SMILES

OC(CC(CN(C(C(C(c1ccccc1)=O)=C1O)c(cc2)ccc2Cl)C1=O)c1ccccc1)=O

InChI

InChI=1S/C27H22ClNO5/c28-21-13-11-18(12-14-21)24-23(25(32)19-9-5-2-6-10-19)26(33)27(34)29(24)16-20(15-22(30)31)17-7-3-1-4-8-17/h1-14,20,24,33H,15-16H2,(H,30,31)

InChI Key

VMGNIBOYGUIGBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01413433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-4.70

Polar Surface Area

73.211

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-7.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.80

8010-3966 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-3966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3966?
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What is the minimum amount of 8010-3966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3966
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8010-3966 available by request