A0062119 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

A0062119 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
A0062119 Screening compound: 4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062119
4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-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

A0062119

Molecular Formula

C24H26N8O5S3 (C24 H26 N8 O5 S3)

Compound Name

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

IUPAC name

4-(dimethylsulfamoyl)-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cc3)ccc3S(N(C)C)(=O)=O)=O)n2-c(cccc2)c2OC)=O)s1

InChI

InChI=1S/C24H26N8O5S3/c1-15-27-29-23(39-15)26-21(33)14-38-24-30-28-20(32(24)18-7-5-6-8-19(18)37-4)13-25-22(34)16-9-11-17(12-10-16)40(35,36)31(2)3/h5-12H,13-14H2,1-4H3,(H,25,34)(H,26,29,33)

InChI Key

ZVSQCJVVKRTPSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.72

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.47

Polar Surface Area

137.868

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

A0062119 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with A0062119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062119?
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What is the minimum amount of A0062119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062119
  • 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 A0062119 available by request