C858-0694 Screening compound: N-(4-methylcyclohexyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0694 Screening compound: N-(4-methylcyclohexyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0694 Screening compound: N-(4-methylcyclohexyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0694
N-(4-methylcyclohexyl)-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

C858-0694

Molecular Formula

C20H27N3OS (C20 H27 N3 OS)

Compound Name

N-(4-methylcyclohexyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-(4-methylcyclohexyl)-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCC1NC(c(cc1)cc2c1nc(N1CCCCC1)s2)=O

InChI

InChI=1S/C20H27N3OS/c1-14-5-8-16(9-6-14)21-19(24)15-7-10-17-18(13-15)25-20(22-17)23-11-3-2-4-12-23/h7,10,13-14,16H,2-6,8-9,11-12H2,1H3,(H,21,24)

InChI Key

XZTXDSSMMGEJSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-5.29

Polar Surface Area

37.365

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C858-0694 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C858-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0694?
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What is the minimum amount of C858-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0694
  • 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 C858-0694 available by request