3172-0348 Screening compound: 4-[(4Z)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

3172-0348 Screening compound: 4-[(4Z)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
3172-0348 Screening compound: 4-[(4Z)-4-{[5-(4-methoxy-2-nitrophenyl)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 3172-0348
4-[(4Z)-4-{[5-(4-methoxy-2-nitrophenyl)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

3172-0348

Molecular Formula

C22H18N4O7S (C22 H18 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(ccc(OC)c3)c3[N+]([O-])=O)o2)=NN1c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H18N4O7S/c1-13-19(22(27)25(24-13)14-3-7-17(8-4-14)34(23,30)31)11-16-6-10-21(33-16)18-9-5-15(32-2)12-20(18)26(28)29/h3-12H,1-2H3,(H2,23,30,31)

InChI Key

JHONHRZCUKNGDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.47

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.72

Polar Surface Area

124.384

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3172-0348 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3172-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3172-0348?
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What is the minimum amount of 3172-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0348
  • 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 3172-0348 available by request