C714-0240 Screening compound: 5-[(4-fluorophenyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

C714-0240 Screening compound: 5-[(4-fluorophenyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
C714-0240 Screening compound: 5-[(4-fluorophenyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0240
5-[(4-fluorophenyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

C714-0240

Molecular Formula

C22H18FNOS (C22 H18 FNOS)

Compound Name

5-[(4-fluorophenyl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

5-[(4-fluorophenyl)methyl]-2-phenyl-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

O=C(C1)N(Cc(cc2)ccc2F)c(cccc2)c2SC1c1ccccc1

InChI

InChI=1S/C22H18FNOS/c23-18-12-10-16(11-13-18)15-24-19-8-4-5-9-20(19)26-21(14-22(24)25)17-6-2-1-3-7-17/h1-13,21H,14-15H2/t21-/m0/s1

InChI Key

HWOYGNYUOSCMLC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04472299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.67

Polar Surface Area

15.678

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

-7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C714-0240 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Proline Kinase Library (2105 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0240?
Check Price and Availability of C714-0240, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C714-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0240
  • 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 C714-0240 available by request