C714-0362 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0362 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0362 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0362
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-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

C714-0362

Molecular Formula

C26H24N2O6S (C26 H24 N2 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[2-(34-dimethoxyphenyl)-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

COc(ccc(C(C1)Sc(cccc2)c2N(CC(Nc(cc2)cc3c2OCO3)=O)C1=O)c1)c1OC

InChI

InChI=1S/C26H24N2O6S/c1-31-19-9-7-16(11-21(19)32-2)24-13-26(30)28(18-5-3-4-6-23(18)35-24)14-25(29)27-17-8-10-20-22(12-17)34-15-33-20/h3-12,24H,13-15H2,1-2H3,(H,27,29)/t24-/m0/s1

InChI Key

CGSWBICUFFDSTR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05714116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.31

Polar Surface Area

71.204

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C714-0362 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0362?
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What is the minimum amount of C714-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0362
  • 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 C714-0362 available by request