Y040-4953 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-4953 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-4953 Screening compound: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4953
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1H-1,2,3,4-tetrazol-1-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

Y040-4953

Molecular Formula

C13H12N6OS (C13 H12 N6 OS)

Compound Name

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

IUPAC name

N-(45-dimethyl-13-thiazol-2-yl)-2-(1H-1234-tetrazol-1-yl)benzamide

SMILES

Cc1c(C)sc(NC(c(cccc2)c2-n2nnnc2)=O)n1

InChI

InChI=1S/C13H12N6OS/c1-8-9(2)21-13(15-8)16-12(20)10-5-3-4-6-11(10)19-7-14-17-18-19/h3-7H,1-2H3,(H,15,16,20)

InChI Key

XRRFITGBGUQSER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

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

2.353

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-3.16

Polar Surface Area

73.417

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y040-4953 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 Y040-4953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4953?
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What is the minimum amount of Y040-4953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4953
  • 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 Y040-4953 available by request