A0062359 Screening compound: N-{[4-(4-bromophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide

A0062359 Screening compound: N-{[4-(4-bromophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
A0062359 Screening compound: N-{[4-(4-bromophenyl)-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 A0062359
N-{[4-(4-bromophenyl)-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

A0062359

Molecular Formula

C26H26BrN7O4S3 (C26 H26 BrN7 O4 S3)

Compound Name

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

SMILES

O=C(CSc1nnc(CNC(c(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)n1-c(cc1)ccc1Br)Nc1nccs1

InChI

InChI=1S/C26H26BrN7O4S3/c27-19-6-8-20(9-7-19)34-22(31-32-26(34)40-17-23(35)30-25-28-12-15-39-25)16-29-24(36)18-4-10-21(11-5-18)41(37,38)33-13-2-1-3-14-33/h4-12,15H,1-3,13-14,16-17H2,(H,29,36)(H,28,30,35)

InChI Key

ZXNRFXPSQNFBJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.64

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

3.691

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.96

Polar Surface Area

115.712

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

A0062359 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 A0062359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062359?
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What is the minimum amount of A0062359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062359
  • 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 A0062359 available by request