8020-8664 Screening compound: 4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}-1-benzenesulfonamide

8020-8664 Screening compound: 4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}-1-benzenesulfonamide
8020-8664 Screening compound: 4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8664
4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}-1-benzenesulfonamide

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

8020-8664

Molecular Formula

C27H25ClN2O6S (C27 H25 ClN2 O6 S)

Compound Name

4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]ethyl}-1-benzenesulfonamide

IUPAC name

4-{2-[2-(2-chlorophenyl)-3-(4-ethoxybenzoyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]ethyl}benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1C(C(C(c(cccc1)c1Cl)N(CCc(cc1)ccc1S(N)(=O)=O)C1=O)=C1O)=O

InChI

InChI=1S/C27H25ClN2O6S/c1-2-36-19-11-9-18(10-12-19)25(31)23-24(21-5-3-4-6-22(21)28)30(27(33)26(23)32)16-15-17-7-13-20(14-8-17)37(29,34)35/h3-14,24,32H,2,15-16H2,1H3,(H2,29,34,35)/t24-/m1/s1

InChI Key

BYIRSENCPZCTAX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD30711851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.02

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.09

Polar Surface Area

102.532

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

8020-8664 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8020-8664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8664?
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What is the minimum amount of 8020-8664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8664
  • 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 8020-8664 available by request