C714-0097 Screening compound: N-(3,5-dimethylphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

C714-0097 Screening compound: N-(3,5-dimethylphenyl)-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
C714-0097 Screening compound: N-(3,5-dimethylphenyl)-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 C714-0097
N-(3,5-dimethylphenyl)-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

C714-0097

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-2-(2-methyl-4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

CC(C1)Sc(cccc2)c2N(CC(Nc2cc(C)cc(C)c2)=O)C1=O

InChI

InChI=1S/C20H22N2O2S/c1-13-8-14(2)10-16(9-13)21-19(23)12-22-17-6-4-5-7-18(17)25-15(3)11-20(22)24/h4-10,15H,11-12H2,1-3H3,(H,21,23)/t15-/m0/s1

InChI Key

DYTMTESTIHZLJD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05714047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.18

Polar Surface Area

39.099

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C714-0097 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0097?
Check Price and Availability of C714-0097, 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 C714-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0097
  • 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 C714-0097 available by request