C714-0112 Screening compound: N-(3-methoxyphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C714-0112 Screening compound: N-(3-methoxyphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C714-0112 Screening compound: N-(3-methoxyphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0112
N-(3-methoxyphenyl)-2-(2-methyl-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

C714-0112

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

N-(3-methoxyphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-(3-methoxyphenyl)-2-(2-methyl-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

CC(C1)Sc(cccc2)c2N(CC(Nc2cc(OC)ccc2)=O)C1=O

InChI

InChI=1S/C19H20N2O3S/c1-13-10-19(23)21(16-8-3-4-9-17(16)25-13)12-18(22)20-14-6-5-7-15(11-14)24-2/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)/t13-/m0/s1

InChI Key

KRMLDCOEAJJTNE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05714059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.539

Water Solubility, LogSw

-3.90

Polar Surface Area

46.643

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

C714-0112 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0112?
Check Price and Availability of C714-0112, 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 C714-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0112
  • 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 C714-0112 available by request