A0062342 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062342 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062342 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062342
4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

A0062342

Molecular Formula

C25H26FN7O4S3 (C25 H26 FN7 O4 S3)

Compound Name

4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

4-(diethylsulfamoyl)-N-{[4-(4-fluorophenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

CCN(CC)S(c(cc1)ccc1C(NCc(n1-c(cc2)ccc2F)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O

InChI

InChI=1S/C25H26FN7O4S3/c1-3-32(4-2)40(36,37)20-11-5-17(6-12-20)23(35)28-15-21-30-31-25(33(21)19-9-7-18(26)8-10-19)39-16-22(34)29-24-27-13-14-38-24/h5-14H,3-4,15-16H2,1-2H3,(H,28,35)(H,27,29,34)

InChI Key

QABIIVOZIKWYRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.29

Polar Surface Area

115.098

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with A0062342 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0062342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062342
  • 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 A0062342 available by request