Y030-5255 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

Y030-5255 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
Y030-5255 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5255
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

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

Y030-5255

Molecular Formula

C17H16N2O3S2 (C17 H16 N2 O3 S2)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C17H16N2O3S2/c1-10-4-5-12(8-11(10)2)16(20)19-17-18-14-7-6-13(24(3,21)22)9-15(14)23-17/h4-9H,1-3H3,(H,18,19,20)

InChI Key

WQBIMXGXVSPHNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01349624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.86

Polar Surface Area

62.840

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y030-5255 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Proteases
  • Phosphatases
  • Kinases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y030-5255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5255?
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What is the minimum amount of Y030-5255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5255
  • 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 Y030-5255 available by request