C489-0268 Screening compound: N-(3,3-diphenylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

C489-0268 Screening compound: N-(3,3-diphenylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
C489-0268 Screening compound: N-(3,3-diphenylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C489-0268
N-(3,3-diphenylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

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

C489-0268

Molecular Formula

C25H24N2O2S (C25 H24 N2 O2 S)

Compound Name

N-(3,3-diphenylpropyl)-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

N-(33-diphenylpropyl)-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

O=C(CCN(c(cccc1)c1S1)C1=O)NCCC(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H24N2O2S/c28-24(16-18-27-22-13-7-8-14-23(22)30-25(27)29)26-17-15-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,26,28)

InChI Key

KVOJSVKNJYGVBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-4.67

Polar Surface Area

39.831

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C489-0268 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C489-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C489-0268?
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What is the minimum amount of C489-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C489-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C489-0268
  • 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 C489-0268 available by request