4632-5731 Screening compound: N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

4632-5731 Screening compound: N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide
4632-5731 Screening compound: N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4632-5731
N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

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

4632-5731

Molecular Formula

C22H15ClFN3O6S (C22 H15 ClFN3 O6 S)

Compound Name

N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

IUPAC name

N-[4-(5-{[(4Z)-1-(3-chloro-4-fluorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

SMILES

CC(NS(c(cc1)ccc1-c1ccc(/C=C(/C(NN2c(cc3)cc(Cl)c3F)=O)\C2=O)o1)(=O)=O)=O

InChI

InChI=1S/C22H15ClFN3O6S/c1-12(28)26-34(31,32)16-6-2-13(3-7-16)20-9-5-15(33-20)11-17-21(29)25-27(22(17)30)14-4-8-19(24)18(23)10-14/h2-11H,1H3,(H,25,29)(H,26,28)

InChI Key

RTGODKPJTMNMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.89

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

-0.592

Water Solubility, LogSw

-3.58

Polar Surface Area

105.329

Acid Dissociation Constant (pKa)

4.25

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 4632-5731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4632-5731?
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What is the minimum amount of 4632-5731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4632-5731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4632-5731
  • 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 4632-5731 available by request