3871-0163 Screening compound: methyl 4-[(4Z)-3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate

3871-0163 Screening compound: methyl 4-[(4Z)-3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate
3871-0163 Screening compound: methyl 4-[(4Z)-3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0163
methyl 4-[(4Z)-3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate

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

3871-0163

Molecular Formula

C22H17N3O7S (C22 H17 N3 O7 S)

Compound Name

methyl 4-[(4Z)-3,5-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate

IUPAC name

methyl 4-[(4Z)-35-dioxo-4-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}pyrazolidin-1-yl]benzoate

SMILES

COC(c(cc1)ccc1N(C(/C1=C\c2ccc(-c(cc3)ccc3S(N)(=O)=O)o2)=O)NC1=O)=O

InChI

InChI=1S/C22H17N3O7S/c1-31-22(28)14-2-6-15(7-3-14)25-21(27)18(20(26)24-25)12-16-8-11-19(32-16)13-4-9-17(10-5-13)33(23,29)30/h2-12H,1H3,(H,24,26)(H2,23,29,30)

InChI Key

MJTIRGAAZAAKCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

2.010

Water Solubility, LogSw

-2.76

Polar Surface Area

122.107

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3871-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0163?
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What is the minimum amount of 3871-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0163
  • 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 3871-0163 available by request