Y040-5775 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide

Y040-5775 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
Y040-5775 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5775
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-methylquinoline-4-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

Y040-5775

Molecular Formula

C19H15N3O3S2 (C19 H15 N3 O3 S2)

Compound Name

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

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide

SMILES

Cc1nc2ccccc2c(C(Nc2nc(ccc(S(C)(=O)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C19H15N3O3S2/c1-11-9-14(13-5-3-4-6-15(13)20-11)18(23)22-19-21-16-8-7-12(27(2,24)25)10-17(16)26-19/h3-10H,1-2H3,(H,21,22,23)

InChI Key

IHTDHBQMOKHCLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06346079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.34

Polar Surface Area

70.977

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

Y040-5775 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-5775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5775?
Check Price and Availability of Y040-5775, 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 Y040-5775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5775
  • 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 Y040-5775 available by request