A0062118 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062118 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062118 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-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 A0062118
4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-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

A0062118

Molecular Formula

C24H25N7O5S3 (C24 H25 N7 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(c(cc1)ccc1C(NCc(n1-c(cccc2)c2OC)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O

InChI

InChI=1S/C24H25N7O5S3/c1-30(2)39(34,35)17-10-8-16(9-11-17)22(33)26-14-20-28-29-24(31(20)18-6-4-5-7-19(18)36-3)38-15-21(32)27-23-25-12-13-37-23/h4-13H,14-15H2,1-3H3,(H,26,33)(H,25,27,32)

InChI Key

CDCIPARJWSCFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.55

Polar Surface Area

124.995

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with A0062118 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 A0062118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062118
  • 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 A0062118 available by request