Y040-5092 Screening compound: 2-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

Y040-5092 Screening compound: 2-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide
Y040-5092 Screening compound: 2-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5092
2-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-(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

Y040-5092

Molecular Formula

C16H11ClN6O3S2 (C16 H11 ClN6 O3 S2)

Compound Name

2-chloro-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

2-chloro-N-(6-methanesulfonyl-13-benzothiazol-2-yl)-5-(1H-1234-tetrazol-1-yl)benzamide

SMILES

CS(c(cc1)cc2c1nc(NC(c(cc(cc1)-n3nnnc3)c1Cl)=O)s2)(=O)=O

InChI

InChI=1S/C16H11ClN6O3S2/c1-28(25,26)10-3-5-13-14(7-10)27-16(19-13)20-15(24)11-6-9(2-4-12(11)17)23-8-18-21-22-23/h2-8H,1H3,(H,19,20,24)

InChI Key

UERYNHKUVIOKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12202690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-3.64

Polar Surface Area

102.605

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y040-5092 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-5092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5092?
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What is the minimum amount of Y040-5092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5092
  • 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 Y040-5092 available by request