4884-9052 Screening compound: 4-[2-(2-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

4884-9052 Screening compound: 4-[2-(2-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4884-9052 Screening compound: 4-[2-(2-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4884-9052
4-[2-(2-chlorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic 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

4884-9052

Molecular Formula

C22H20ClNO6 (C22 H20 ClNO6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(C(C(c(cccc1)c1Cl)N(CCCC(O)=O)C1=O)=C1O)=O

InChI

InChI=1S/C22H20ClNO6/c1-30-14-10-8-13(9-11-14)20(27)18-19(15-5-2-3-6-16(15)23)24(22(29)21(18)28)12-4-7-17(25)26/h2-3,5-6,8-11,19,28H,4,7,12H2,1H3,(H,25,26)/t19-/m1/s1

InChI Key

SHXYBJVKOCFAQY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14710241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

-0.388

Water Solubility, LogSw

-3.11

Polar Surface Area

81.004

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

4884-9052 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4884-9052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4884-9052?
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What is the minimum amount of 4884-9052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4884-9052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4884-9052
  • 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 4884-9052 available by request