C714-0425 Screening compound: N-(2-fluorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0425 Screening compound: N-(2-fluorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0425 Screening compound: N-(2-fluorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0425
N-(2-fluorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-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

C714-0425

Molecular Formula

C26H25FN2O5S (C26 H25 FN2 O5 S)

Compound Name

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

IUPAC name

N-(2-fluorophenyl)-2-[4-oxo-2-(345-trimethoxyphenyl)-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

COc1cc(C(C2)Sc(cccc3)c3N(CC(Nc(cccc3)c3F)=O)C2=O)cc(OC)c1OC

InChI

InChI=1S/C26H25FN2O5S/c1-32-20-12-16(13-21(33-2)26(20)34-3)23-14-25(31)29(19-10-6-7-11-22(19)35-23)15-24(30)28-18-9-5-4-8-17(18)27/h4-13,23H,14-15H2,1-3H3,(H,28,30)/t23-/m0/s1

InChI Key

JHSHRTUPUGGOCB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04472360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.28

Polar Surface Area

61.108

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C714-0425 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0425?
Check Price and Availability of C714-0425, 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 C714-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0425
  • 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 C714-0425 available by request