C714-0256 Screening compound: N-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0256 Screening compound: N-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0256 Screening compound: N-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0256
N-(2,3-dimethylphenyl)-2-[2-(4-methoxyphenyl)-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

C714-0256

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

Cc1cccc(NC(CN(c(cccc2)c2SC(C2)c(cc3)ccc3OC)C2=O)=O)c1C

InChI

InChI=1S/C26H26N2O3S/c1-17-7-6-8-21(18(17)2)27-25(29)16-28-22-9-4-5-10-23(22)32-24(15-26(28)30)19-11-13-20(31-3)14-12-19/h4-14,24H,15-16H2,1-3H3,(H,27,29)/t24-/m0/s1

InChI Key

BFPFSSFQNMUYTN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04472306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

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

5.431

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.36

Polar Surface Area

45.674

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C714-0256 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0256?
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What is the minimum amount of C714-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0256
  • 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 C714-0256 available by request