C858-0912 Screening compound: N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0912 Screening compound: N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0912 Screening compound: N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0912
N-benzyl-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

C858-0912

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-benzyl-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NCc2ccccc2)=O)c2)c2s1

InChI

InChI=1S/C21H23N3OS/c1-15-9-11-24(12-10-15)21-23-18-8-7-17(13-19(18)26-21)20(25)22-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)

InChI Key

KHSOJGMKOYXJIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

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

4.775

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.55

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

C858-0912 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C858-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0912?
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What is the minimum amount of C858-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0912
  • 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 C858-0912 available by request