A0062367 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide

A0062367 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
A0062367 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062367
N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)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

A0062367

Molecular Formula

C28H31N7O4S3 (C28 H31 N7 O4 S3)

Compound Name

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

IUPAC name

N-{[4-(25-dimethylphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide

SMILES

Cc1cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C28H31N7O4S3/c1-19-6-7-20(2)23(16-19)35-24(32-33-28(35)41-18-25(36)31-27-29-12-15-40-27)17-30-26(37)21-8-10-22(11-9-21)42(38,39)34-13-4-3-5-14-34/h6-12,15-16H,3-5,13-14,17-18H2,1-2H3,(H,30,37)(H,29,31,36)

InChI Key

MIPKKEUXKLXTAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

625.8

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-3.90

Polar Surface Area

115.411

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

A0062367 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 A0062367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062367?
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What is the minimum amount of A0062367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062367
  • 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 A0062367 available by request