C858-0686 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0686 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0686 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0686
N-(2-ethyl-6-methylphenyl)-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

C858-0686

Molecular Formula

C22H25N3OS (C22 H25 N3 OS)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CCc(cccc1C)c1NC(c(cc1)cc2c1nc(N1CCCCC1)s2)=O

InChI

InChI=1S/C22H25N3OS/c1-3-16-9-7-8-15(2)20(16)24-21(26)17-10-11-18-19(14-17)27-22(23-18)25-12-5-4-6-13-25/h7-11,14H,3-6,12-13H2,1-2H3,(H,24,26)

InChI Key

NQIQFFHTSRNJLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.53

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

5.310

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.16

Polar Surface Area

34.922

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C858-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0686?
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What is the minimum amount of C858-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0686
  • 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 C858-0686 available by request