C867-0296 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,5-benzothiazepine-1,1,4(5H)-trione

C867-0296 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,5-benzothiazepine-1,1,4(5H)-trione
C867-0296 Screening compound: 2-(3,4-dimethoxyphenyl)-5-(4-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,5-benzothiazepine-1,1,4(5H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C867-0296
2-(3,4-dimethoxyphenyl)-5-(4-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,5-benzothiazepine-1,1,4(5H)-trione

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

C867-0296

Molecular Formula

C24H22FNO5S (C24 H22 FNO5 S)

Compound Name

2-(3,4-dimethoxyphenyl)-5-(4-fluorobenzyl)-2,3-dihydro-1H-1lambda~6~,5-benzothiazepine-1,1,4(5H)-trione

IUPAC name

2-(34-dimethoxyphenyl)-5-[(4-fluorophenyl)methyl]-2345-tetrahydro-1lambda65-benzothiazepine-114-trione

SMILES

COc(ccc(C(CC(N(Cc(cc1)ccc1F)c1c2cccc1)=O)S2(=O)=O)c1)c1OC

InChI

InChI=1S/C24H22FNO5S/c1-30-20-12-9-17(13-21(20)31-2)23-14-24(27)26(15-16-7-10-18(25)11-8-16)19-5-3-4-6-22(19)32(23,28)29/h3-13,23H,14-15H2,1-2H3/t23-/m0/s1

InChI Key

ONIBZVHUQBGRDP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05899023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.02

Polar Surface Area

59.919

Acid Dissociation Constant (pKa)

17.19

Base Dissociation Constant (pKb)

-10.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

C867-0296 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C867-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C867-0296?
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What is the minimum amount of C867-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C867-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C867-0296
  • 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 C867-0296 available by request