A0062357 Screening compound: N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide

A0062357 Screening compound: N-{[4-(3-methylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
A0062357 Screening compound: N-{[4-(3-methylphenyl)-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 A0062357
N-{[4-(3-methylphenyl)-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

A0062357

Molecular Formula

C27H29N7O4S3 (C27 H29 N7 O4 S3)

Compound Name

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

SMILES

Cc1cccc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)c1

InChI

InChI=1S/C27H29N7O4S3/c1-19-6-5-7-21(16-19)34-23(31-32-27(34)40-18-24(35)30-26-28-12-15-39-26)17-29-25(36)20-8-10-22(11-9-20)41(37,38)33-13-3-2-4-14-33/h5-12,15-16H,2-4,13-14,17-18H2,1H3,(H,29,36)(H,28,30,35)

InChI Key

DFNKWBQQERRSPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.77

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

3.325

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.72

Polar Surface Area

115.712

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

A0062357 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 A0062357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062357?
Check Price and Availability of A0062357, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0062357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062357
  • 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 A0062357 available by request