C858-0676 Screening compound: N-(2-phenylethyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0676 Screening compound: N-(2-phenylethyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0676 Screening compound: N-(2-phenylethyl)-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0676
N-(2-phenylethyl)-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

C858-0676

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc2c1nc(N1CCCCC1)s2)NCCc1ccccc1

InChI

InChI=1S/C21H23N3OS/c25-20(22-12-11-16-7-3-1-4-8-16)17-9-10-18-19(15-17)26-21(23-18)24-13-5-2-6-14-24/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,22,25)

InChI Key

SPQLOPMAKTVMQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801283

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.24

Polar Surface Area

37.481

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C858-0676 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C858-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0676?
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What is the minimum amount of C858-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0676
  • 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 C858-0676 available by request