Y040-4651 Screening compound: 4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-1,3-thiazole-5-carboxamide

Y040-4651 Screening compound: 4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-1,3-thiazole-5-carboxamide
Y040-4651 Screening compound: 4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4651
4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-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

Y040-4651

Molecular Formula

C17H15N3OS (C17 H15 N3 OS)

Compound Name

4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-1,3-thiazole-5-carboxamide

IUPAC name

4-methyl-2-(4-methylphenyl)-N-(pyridin-4-yl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2ccncc2)=O)sc(-c2ccc(C)cc2)n1

InChI

InChI=1S/C17H15N3OS/c1-11-3-5-13(6-4-11)17-19-12(2)15(22-17)16(21)20-14-7-9-18-10-8-14/h3-10H,1-2H3,(H,18,20,21)

InChI Key

ZJSFEKKNDVCHSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.75

Polar Surface Area

43.069

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

Y040-4651 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4651?
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What is the minimum amount of Y040-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4651
  • 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 Y040-4651 available by request