C858-0807 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0807 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0807 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0807
N-[2-(2,5-dimethoxyphenyl)ethyl]-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

C858-0807

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(piperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-2-(piperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

COc(cc1)cc(CCNC(c(cc2)cc3c2nc(N2CCCCC2)s3)=O)c1OC

InChI

InChI=1S/C23H27N3O3S/c1-28-18-7-9-20(29-2)16(14-18)10-11-24-22(27)17-6-8-19-21(15-17)30-23(25-19)26-12-4-3-5-13-26/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,27)

InChI Key

YTLVNAJAMHNXQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.41

Polar Surface Area

52.655

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C858-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0807?
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What is the minimum amount of C858-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0807
  • 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 C858-0807 available by request