C867-0237 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N~1~-(4-methylphenyl)acetamide

C867-0237 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N~1~-(4-methylphenyl)acetamide
C867-0237 Screening compound: 2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N~1~-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C867-0237
2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N~1~-(4-methylphenyl)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

C867-0237

Molecular Formula

C26H26N2O6S (C26 H26 N2 O6 S)

Compound Name

2-[2-(3,4-dimethoxyphenyl)-1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl]-N~1~-(4-methylphenyl)acetamide

IUPAC name

2-[2-(34-dimethoxyphenyl)-114-trioxo-2345-tetrahydro-1lambda65-benzothiazepin-5-yl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CN(c(cccc1)c1S(C(C1)c(cc2)cc(OC)c2OC)(=O)=O)C1=O)=O

InChI

InChI=1S/C26H26N2O6S/c1-17-8-11-19(12-9-17)27-25(29)16-28-20-6-4-5-7-23(20)35(31,32)24(15-26(28)30)18-10-13-21(33-2)22(14-18)34-3/h4-14,24H,15-16H2,1-3H3,(H,27,29)/t24-/m0/s1

InChI Key

NFYWJTGZKOMHJR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05899010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.90

Polar Surface Area

83.069

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C867-0237 in Drug Discovery

Included in Screening Libraries

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 C867-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C867-0237?
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What is the minimum amount of C867-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C867-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C867-0237
  • 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 C867-0237 available by request