C782-0001 Screening compound: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C782-0001 Screening compound: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
C782-0001 Screening compound: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0001
N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-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

C782-0001

Molecular Formula

C22H24ClN3O2S (C22 H24 ClN3 O2 S)

Compound Name

N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-13-benzothiazol-2-yl)piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(N(CC1)CCC1C(NCc1cccc(Cl)c1)=O)s2

InChI

InChI=1S/C22H24ClN3O2S/c1-2-28-18-6-7-19-20(13-18)29-22(25-19)26-10-8-16(9-11-26)21(27)24-14-15-4-3-5-17(23)12-15/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,24,27)

InChI Key

LVUBWIKRGFXZOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.96

Polar Surface Area

44.763

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C782-0001 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C782-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0001?
Check Price and Availability of C782-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C782-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0001
  • 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 C782-0001 available by request