1189-0472 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2-diphenylacetamide

1189-0472 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2-diphenylacetamide
1189-0472 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-0472
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2-diphenylacetamide

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

1189-0472

Molecular Formula

C27H20N2OS (C27 H20 N2 OS)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2-diphenylacetamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-22-diphenylacetamide

SMILES

O=C(C(c1ccccc1)c1ccccc1)Nc1cccc(-c2nc(cccc3)c3s2)c1

InChI

InChI=1S/C27H20N2OS/c30-26(25(19-10-3-1-4-11-19)20-12-5-2-6-13-20)28-22-15-9-14-21(18-22)27-29-23-16-7-8-17-24(23)31-27/h1-18,25H,(H,28,30)

InChI Key

RJPYIWJBTOSVGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

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

6.889

Distribution Coefficient, logD

6.889

Water Solubility, LogSw

-6.25

Polar Surface Area

32.507

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

1189-0472 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1189-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-0472?
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What is the minimum amount of 1189-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-0472
  • 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 1189-0472 available by request