C858-0923 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0923 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0923 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0923
N-[2-(4-chlorophenyl)ethyl]-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

C858-0923

Molecular Formula

C22H24ClN3OS (C22 H24 ClN3 OS)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NCCc(cc2)ccc2Cl)=O)c2)c2s1

InChI

InChI=1S/C22H24ClN3OS/c1-15-9-12-26(13-10-15)22-25-19-7-4-17(14-20(19)28-22)21(27)24-11-8-16-2-5-18(23)6-3-16/h2-7,14-15H,8-13H2,1H3,(H,24,27)

InChI Key

AYDKUNNGSOJOSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.97

Polar Surface Area

37.481

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C858-0923 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 C858-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0923?
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What is the minimum amount of C858-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0923
  • 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 C858-0923 available by request