C714-0623 Screening compound: N-benzyl-2-[2-(furan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0623 Screening compound: N-benzyl-2-[2-(furan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0623 Screening compound: N-benzyl-2-[2-(furan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0623
N-benzyl-2-[2-(furan-2-yl)-4-oxo-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

C714-0623

Molecular Formula

C22H20N2O3S (C22 H20 N2 O3 S)

Compound Name

N-benzyl-2-[2-(furan-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

IUPAC name

N-benzyl-2-[2-(furan-2-yl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1SC(C1)c2ccco2)C1=O)NCc1ccccc1

InChI

InChI=1S/C22H20N2O3S/c25-21(23-14-16-7-2-1-3-8-16)15-24-17-9-4-5-11-19(17)28-20(13-22(24)26)18-10-6-12-27-18/h1-12,20H,13-15H2,(H,23,25)/t20-/m0/s1

InChI Key

QFKHVJLBHNNCMV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05893609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.66

Polar Surface Area

48.728

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C714-0623 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0623?
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What is the minimum amount of C714-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0623
  • 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 C714-0623 available by request