C714-0419 Screening compound: N-(2,5-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide

C714-0419 Screening compound: N-(2,5-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide
C714-0419 Screening compound: N-(2,5-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C714-0419
N-(2,5-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-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

C714-0419

Molecular Formula

C28H30N2O5S (C28 H30 N2 O5 S)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-2-[4-oxo-2-(345-trimethoxyphenyl)-2345-tetrahydro-15-benzothiazepin-5-yl]acetamide

SMILES

Cc1cc(NC(CN(c(cccc2)c2SC(C2)c(cc3OC)cc(OC)c3OC)C2=O)=O)c(C)cc1

InChI

InChI=1S/C28H30N2O5S/c1-17-10-11-18(2)20(12-17)29-26(31)16-30-21-8-6-7-9-24(21)36-25(15-27(30)32)19-13-22(33-3)28(35-5)23(14-19)34-4/h6-14,25H,15-16H2,1-5H3,(H,29,31)/t25-/m0/s1

InChI Key

BJLTZSAOHDETKI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04472355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.30

Polar Surface Area

61.108

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C714-0419 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C714-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C714-0419?
Check Price and Availability of C714-0419, 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 C714-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C714-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C714-0419
  • 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 C714-0419 available by request