4329-0264 Screening compound: 4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4329-0264 Screening compound: 4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4329-0264 Screening compound: 4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4329-0264
4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

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

4329-0264

Molecular Formula

C22H18ClN3O4S (C22 H18 ClN3 O4 S)

Compound Name

4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CC(/C(/C1=O)=C/c2ccc(-c3cccc(Cl)c3C)o2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H18ClN3O4S/c1-13-18(4-3-5-20(13)23)21-11-8-16(30-21)12-19-14(2)25-26(22(19)27)15-6-9-17(10-7-15)31(24,28)29/h3-12H,1-2H3,(H2,24,28,29)

InChI Key

JRPXZVXATHVNCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03136939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.43

Polar Surface Area

83.760

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4329-0264 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4329-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4329-0264?
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What is the minimum amount of 4329-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4329-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4329-0264
  • 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 4329-0264 available by request