Y040-4639 Screening compound: 2-(2-chlorophenyl)-4-methyl-N-(3-pyridylmethyl)-1,3-thiazole-5-carboxamide

Y040-4639 Screening compound: 2-(2-chlorophenyl)-4-methyl-N-(3-pyridylmethyl)-1,3-thiazole-5-carboxamide
Y040-4639 Screening compound: 2-(2-chlorophenyl)-4-methyl-N-(3-pyridylmethyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4639
2-(2-chlorophenyl)-4-methyl-N-(3-pyridylmethyl)-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

Y040-4639

Molecular Formula

C17H14ClN3OS (C17 H14 ClN3 OS)

Compound Name

2-(2-chlorophenyl)-4-methyl-N-(3-pyridylmethyl)-1,3-thiazole-5-carboxamide

IUPAC name

2-(2-chlorophenyl)-4-methyl-N-[(pyridin-3-yl)methyl]-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCc2cnccc2)=O)sc(-c(cccc2)c2Cl)n1

InChI

InChI=1S/C17H14ClN3OS/c1-11-15(16(22)20-10-12-5-4-8-19-9-12)23-17(21-11)13-6-2-3-7-14(13)18/h2-9H,10H2,1H3,(H,20,22)

InChI Key

NJSXUZYVLPSOGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.76

Polar Surface Area

44.480

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

Y040-4639 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 Y040-4639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4639?
Check Price and Availability of Y040-4639, 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 Y040-4639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4639
  • 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 Y040-4639 available by request