C782-0129 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

C782-0129 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
C782-0129 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0129
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]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

C782-0129

Molecular Formula

C23H28N4O4S2 (C23 H28 N4 O4 S2)

Compound Name

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

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(N(CC1)CCC1C(NCCc(cc1)ccc1S(N)(=O)=O)=O)s2

InChI

InChI=1S/C23H28N4O4S2/c1-2-31-18-5-8-20-21(15-18)32-23(26-20)27-13-10-17(11-14-27)22(28)25-12-9-16-3-6-19(7-4-16)33(24,29)30/h3-8,15,17H,2,9-14H2,1H3,(H,25,28)(H2,24,29,30)

InChI Key

RUTXJKNFVRZZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.816

Distribution Coefficient, logD

2.810

Water Solubility, LogSw

-3.56

Polar Surface Area

95.208

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C782-0129 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C782-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0129?
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What is the minimum amount of C782-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0129
  • 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 C782-0129 available by request