C714-0428 Screening compound: N-(3-chlorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0428 Screening compound: N-(3-chlorophenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0428 Screening compound: N-(3-chlorophenyl)-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 C714-0428
N-(3-chlorophenyl)-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

C714-0428

Molecular Formula

C26H25ClN2O5S (C26 H25 ClN2 O5 S)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-2-[4-oxo-2-(345-trimethoxyphenyl)-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

COc1cc(C(C2)Sc(cccc3)c3N(CC(Nc3cccc(Cl)c3)=O)C2=O)cc(OC)c1OC

InChI

InChI=1S/C26H25ClN2O5S/c1-32-20-11-16(12-21(33-2)26(20)34-3)23-14-25(31)29(19-9-4-5-10-22(19)35-23)15-24(30)28-18-8-6-7-17(27)13-18/h4-13,23H,14-15H2,1-3H3,(H,28,30)/t23-/m1/s1

InChI Key

JCXLHALTYWKRJT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04472363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.01

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

5.271

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.70

Polar Surface Area

61.806

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C714-0428 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
  • 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 C714-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0428?
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What is the minimum amount of C714-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0428
  • 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 C714-0428 available by request