Y030-5405 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

Y030-5405 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
Y030-5405 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5405
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

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

Y030-5405

Molecular Formula

C23H20N2O3S2 (C23 H20 N2 O3 S2)

Compound Name

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

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-33-diphenylpropanamide

SMILES

CS(c(cc1)cc2c1nc(NC(CC(c1ccccc1)c1ccccc1)=O)s2)(=O)=O

InChI

InChI=1S/C23H20N2O3S2/c1-30(27,28)18-12-13-20-21(14-18)29-23(24-20)25-22(26)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,24,25,26)

InChI Key

LKOPWBWKERQGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01350707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.27

Polar Surface Area

62.355

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

Y030-5405 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with Y030-5405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5405?
Check Price and Availability of Y030-5405, 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 Y030-5405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5405
  • 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 Y030-5405 available by request