A0062153 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide

A0062153 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
A0062153 Screening compound: N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062153
N-{[4-(4-fluorophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-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

A0062153

Molecular Formula

C25H24FN7O5S3 (C25 H24 FN7 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)n1-c(cc1)ccc1F)Nc1nccs1

InChI

InChI=1S/C25H24FN7O5S3/c26-18-3-5-19(6-4-18)33-21(30-31-25(33)40-16-22(34)29-24-27-9-14-39-24)15-28-23(35)17-1-7-20(8-2-17)41(36,37)32-10-12-38-13-11-32/h1-9,14H,10-13,15-16H2,(H,28,35)(H,27,29,34)

InChI Key

SGWOMFCFEDROFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.63

Polar Surface Area

123.621

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0062153 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 A0062153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062153?
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What is the minimum amount of A0062153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062153
  • 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 A0062153 available by request