Y040-5474 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Y040-5474 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
Y040-5474 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5474
N-(1H-1,3-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

Y040-5474

Molecular Formula

C18H13FN4OS (C18 H13 FN4 OS)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-(1H-13-benzodiazol-2-yl)-2-(2-fluorophenyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nc(cccc3)c3[nH]2)=O)sc(-c(cccc2)c2F)n1

InChI

InChI=1S/C18H13FN4OS/c1-10-15(25-17(20-10)11-6-2-3-7-12(11)19)16(24)23-18-21-13-8-4-5-9-14(13)22-18/h2-9H,1H3,(H2,21,22,23,24)

InChI Key

NJNGUOUSKNPXFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09855232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.19

Polar Surface Area

54.066

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y040-5474 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Proteases
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with Y040-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5474?
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What is the minimum amount of Y040-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5474
  • 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 Y040-5474 available by request