Y040-5225 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide

Y040-5225 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
Y040-5225 Screening compound: 2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5225
2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)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

Y040-5225

Molecular Formula

C11H7ClN6OS (C11 H7 ClN6 OS)

Compound Name

2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide

IUPAC name

2-chloro-5-(1H-1234-tetrazol-1-yl)-N-(13-thiazol-2-yl)benzamide

SMILES

O=C(c(cc(cc1)-n2nnnc2)c1Cl)Nc1nccs1

InChI

InChI=1S/C11H7ClN6OS/c12-9-2-1-7(18-6-14-16-17-18)5-8(9)10(19)15-11-13-3-4-20-11/h1-6H,(H,13,15,19)

InChI Key

NXIWPFKHZRBCOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12209902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-3.37

Polar Surface Area

73.573

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-5225 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-5225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5225?
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What is the minimum amount of Y040-5225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5225
  • 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 Y040-5225 available by request