Y030-2976 Screening compound: N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

Y030-2976 Screening compound: N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
Y030-2976 Screening compound: N-(1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-2976
N-(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

Y030-2976

Molecular Formula

C22H18N2OS (C22 H18 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)

InChI Key

GYQWKTIZRYVFEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.81

Polar Surface Area

32.606

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y030-2976 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

DGK Inhibitors Library (10558 compounds)

Human Kinases Annotated Library (2415 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with Y030-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-2976?
Check Price and Availability of Y030-2976, 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 Y030-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-2976
  • 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 Y030-2976 available by request