C756-0210 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C756-0210 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C756-0210 Screening compound: N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C756-0210
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(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

C756-0210

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

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

IUPAC name

N-[2-(24-dimethoxyphenyl)ethyl]-2-(4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

COc1cc(OC)c(CCNC(CN(c(cccc2)c2SCC2)C2=O)=O)cc1

InChI

InChI=1S/C21H24N2O4S/c1-26-16-8-7-15(18(13-16)27-2)9-11-22-20(24)14-23-17-5-3-4-6-19(17)28-12-10-21(23)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)

InChI Key

LKEFMJXHNAYSBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-3.52

Polar Surface Area

55.437

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C756-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C756-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C756-0210?
Check Price and Availability of C756-0210, 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 C756-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C756-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C756-0210
  • 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 C756-0210 available by request