A0062345 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062345 Screening compound: 4-(diethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062345 Screening compound: 4-(diethylsulfamoyl)-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 A0062345
4-(diethylsulfamoyl)-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

A0062345

Molecular Formula

C26H29N7O5S3 (C26 H29 N7 O5 S3)

Compound Name

4-(diethylsulfamoyl)-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-(diethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-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(cccc2)c2OC)nnc1SCC(Nc1nccs1)=O)=O)(=O)=O

InChI

InChI=1S/C26H29N7O5S3/c1-4-32(5-2)41(36,37)19-12-10-18(11-13-19)24(35)28-16-22-30-31-26(33(22)20-8-6-7-9-21(20)38-3)40-17-23(34)29-25-27-14-15-39-25/h6-15H,4-5,16-17H2,1-3H3,(H,28,35)(H,27,29,34)

InChI Key

KDSNXTFBNWDOLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.76

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.82

Polar Surface Area

122.427

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with A0062345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062345?
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What is the minimum amount of A0062345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062345
  • 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 A0062345 available by request