C867-0182 Screening compound: N~1~-(4-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide

C867-0182 Screening compound: N~1~-(4-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
C867-0182 Screening compound: N~1~-(4-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C867-0182
N~1~-(4-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,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

C867-0182

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

N~1~-(4-methoxyphenyl)-2-(1,1,4-trioxo-2-phenyl-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-(4-methoxyphenyl)-2-(114-trioxo-2-phenyl-2345-tetrahydro-1lambda65-benzothiazepin-5-yl)acetamide

SMILES

COc(cc1)ccc1NC(CN(c(cccc1)c1S(C(C1)c2ccccc2)(=O)=O)C1=O)=O

InChI

InChI=1S/C24H22N2O5S/c1-31-19-13-11-18(12-14-19)25-23(27)16-26-20-9-5-6-10-21(20)32(29,30)22(15-24(26)28)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3,(H,25,27)/t22-/m0/s1

InChI Key

LVBWYRSFQKVDHO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05715703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.88

Polar Surface Area

75.352

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C867-0182 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 C867-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C867-0182?
Check Price and Availability of C867-0182, 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 C867-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C867-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C867-0182
  • 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 C867-0182 available by request