A0062122 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062122 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062122 Screening compound: 4-(dimethylsulfamoyl)-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062122
4-(dimethylsulfamoyl)-N-{[5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-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

A0062122

Molecular Formula

C24H22F3N7O4S3 (C24 H22 F3 N7 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(c(cc1)ccc1C(NCc(n1-c2cc(C(F)(F)F)ccc2)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O

InChI

InChI=1S/C24H22F3N7O4S3/c1-33(2)41(37,38)18-8-6-15(7-9-18)21(36)29-13-19-31-32-23(40-14-20(35)30-22-28-10-11-39-22)34(19)17-5-3-4-16(12-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,29,36)(H,28,30,35)

InChI Key

YXLCJJBYACKOJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

625.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.64

Polar Surface Area

117.665

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062122 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062122
  • 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 A0062122 available by request