C797-0336 Screening compound: N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C797-0336 Screening compound: N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C797-0336 Screening compound: N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0336
N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-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

C797-0336

Molecular Formula

C20H20BrN3OS (C20 H20 BrN3 OS)

Compound Name

N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[(2-bromophenyl)methyl]-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nc(N1CCCCC1)s2)NCc(cccc1)c1Br

InChI

InChI=1S/C20H20BrN3OS/c21-16-7-3-2-6-15(16)13-22-19(25)14-8-9-17-18(12-14)26-20(23-17)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,25)

InChI Key

IZHCMGUXKUBKJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.316

Water Solubility, LogSw

-5.67

Polar Surface Area

37.640

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C797-0336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C797-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0336?
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What is the minimum amount of C797-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0336
  • 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 C797-0336 available by request