C867-0024 Screening compound: N~1~-(4-chlorophenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide

C867-0024 Screening compound: N~1~-(4-chlorophenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
C867-0024 Screening compound: N~1~-(4-chlorophenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C867-0024
N~1~-(4-chlorophenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide

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

C867-0024

Molecular Formula

C17H15ClN2O4S (C17 H15 ClN2 O4 S)

Compound Name

N~1~-(4-chlorophenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-(4-chlorophenyl)-2-(114-trioxo-2345-tetrahydro-1lambda65-benzothiazepin-5-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1S(CC1)(=O)=O)C1=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C17H15ClN2O4S/c18-12-5-7-13(8-6-12)19-16(21)11-20-14-3-1-2-4-15(14)25(23,24)10-9-17(20)22/h1-8H,9-11H2,(H,19,21)

InChI Key

PZEXFFGRXOHNMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.48

Polar Surface Area

67.625

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C867-0024 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C867-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C867-0024?
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What is the minimum amount of C867-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C867-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C867-0024
  • 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 C867-0024 available by request