C797-0159 Screening compound: N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C797-0159 Screening compound: N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C797-0159 Screening compound: N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0159
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-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

C797-0159

Molecular Formula

C21H22BrN3OS (C21 H22 BrN3 OS)

Compound Name

N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NCc2cccc(Br)c2)=O)c2)c2s1

InChI

InChI=1S/C21H22BrN3OS/c1-14-7-9-25(10-8-14)21-24-18-6-5-16(12-19(18)27-21)20(26)23-13-15-3-2-4-17(22)11-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,26)

InChI Key

UPFUVSDPPQLIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.4

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

5.528

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.43

Polar Surface Area

37.640

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C797-0159 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C797-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0159?
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What is the minimum amount of C797-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0159
  • 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 C797-0159 available by request