4632-5770 Screening compound: 4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide

4632-5770 Screening compound: 4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
4632-5770 Screening compound: 4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4632-5770
4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-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

4632-5770

Molecular Formula

C21H13ClF3N3O4S (C21 H13 ClF3 N3 O4 S)

Compound Name

4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide

IUPAC name

4-(5-{[(4Z)-1-(4-chlorophenyl)-5-oxo-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide

SMILES

NS(c(cc1)ccc1-c1ccc(/C=C(/C(C(F)(F)F)=NN2c(cc3)ccc3Cl)\C2=O)o1)(=O)=O

InChI

InChI=1S/C21H13ClF3N3O4S/c22-13-3-5-14(6-4-13)28-20(29)17(19(27-28)21(23,24)25)11-15-7-10-18(32-15)12-1-8-16(9-2-12)33(26,30)31/h1-11H,(H2,26,30,31)

InChI Key

DRMBCDGPDAYZEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.69

Polar Surface Area

84.587

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4632-5770 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4632-5770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4632-5770?
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What is the minimum amount of 4632-5770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4632-5770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4632-5770
  • 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 4632-5770 available by request