A0062352 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062352 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062352 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(2,5-dimethoxyphenyl)-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 A0062352
4-(diethylsulfamoyl)-N-{[4-(2,5-dimethoxyphenyl)-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

A0062352

Molecular Formula

C27H31N7O6S3 (C27 H31 N7 O6 S3)

Compound Name

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

IUPAC name

4-(diethylsulfamoyl)-N-{[4-(25-dimethoxyphenyl)-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(cc(cc2)OC)c2OC)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O

InChI

InChI=1S/C27H31N7O6S3/c1-5-33(6-2)43(37,38)20-10-7-18(8-11-20)25(36)29-16-23-31-32-27(42-17-24(35)30-26-28-13-14-41-26)34(23)21-15-19(39-3)9-12-22(21)40-4/h7-15H,5-6,16-17H2,1-4H3,(H,29,36)(H,28,30,35)

InChI Key

XMIMHTNJTJZWGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

645.78

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.56

Polar Surface Area

129.971

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with A0062352 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0062352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062352
  • 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 A0062352 available by request