C798-1249 Screening compound: N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

C798-1249 Screening compound: N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
C798-1249 Screening compound: N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1249
N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-benzothiazole-3-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

C798-1249

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

N-[4-(cyclopropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

IUPAC name

N-[4-(cyclopropylcarbamoyl)phenyl]-12-benzothiazole-3-carboxamide

SMILES

O=C(c1nsc2c1cccc2)Nc(cc1)ccc1C(NC1CC1)=O

InChI

InChI=1S/C18H15N3O2S/c22-17(19-13-9-10-13)11-5-7-12(8-6-11)20-18(23)16-14-3-1-2-4-15(14)24-21-16/h1-8,13H,9-10H2,(H,19,22)(H,20,23)

InChI Key

HOSCPFLVBHLFGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.165

Water Solubility, LogSw

-3.50

Polar Surface Area

58.790

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C798-1249 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with C798-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1249?
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What is the minimum amount of C798-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1249
  • 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 C798-1249 available by request