Y040-9331 Screening compound: 1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

Y040-9331 Screening compound: 1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
Y040-9331 Screening compound: 1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9331
1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

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

Y040-9331

Molecular Formula

C21H18N4O3S2 (C21 H18 N4 O3 S2)

Compound Name

1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

IUPAC name

1-phenyl-N-[(4-sulfamoylphenyl)methyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

SMILES

NS(c1ccc(CNC(c2cc(-c3cccs3)nn2-c2ccccc2)=O)cc1)(=O)=O

InChI

InChI=1S/C21H18N4O3S2/c22-30(27,28)17-10-8-15(9-11-17)14-23-21(26)19-13-18(20-7-4-12-29-20)24-25(19)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,26)(H2,22,27,28)

InChI Key

NSMIVZOFSICVQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08864486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.54

Polar Surface Area

89.096

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

Y040-9331 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y040-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9331?
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What is the minimum amount of Y040-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9331
  • 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 Y040-9331 available by request