C714-0221 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C714-0221 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C714-0221 Screening compound: N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0221
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-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

C714-0221

Molecular Formula

C24H21ClN2O2S (C24 H21 ClN2 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1SC(C1)c2ccccc2)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C24H21ClN2O2S/c25-19-11-5-4-10-18(19)15-26-23(28)16-27-20-12-6-7-13-21(20)30-22(14-24(27)29)17-8-2-1-3-9-17/h1-13,22H,14-16H2,(H,26,28)/t22-/m1/s1

InChI Key

VBNFKTHZXPZMIF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04472289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.62

Polar Surface Area

40.150

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C714-0221 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 C714-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0221?
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What is the minimum amount of C714-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0221
  • 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 C714-0221 available by request