C797-0316 Screening compound: 2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-1,3-benzothiazole-6-carboxamide

C797-0316 Screening compound: 2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-1,3-benzothiazole-6-carboxamide
C797-0316 Screening compound: 2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0316
2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-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

C797-0316

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-1,3-benzothiazole-6-carboxamide

IUPAC name

2-(piperidin-1-yl)-N-{[4-(propan-2-yloxy)phenyl]methyl}-13-benzothiazole-6-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(cc2)cc3c2nc(N2CCCCC2)s3)=O)cc1

InChI

InChI=1S/C23H27N3O2S/c1-16(2)28-19-9-6-17(7-10-19)15-24-22(27)18-8-11-20-21(14-18)29-23(25-20)26-12-4-3-5-13-26/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,24,27)

InChI Key

WQHFBOPQYJXXHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-4.84

Polar Surface Area

44.442

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C797-0316 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0316?
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What is the minimum amount of C797-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0316
  • 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 C797-0316 available by request