D715-1414 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]acetamide

D715-1414 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]acetamide
D715-1414 Screening compound: N-(2,5-dimethoxyphenyl)-2-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1414
N-(2,5-dimethoxyphenyl)-2-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]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

D715-1414

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

N-(2,5-dimethoxyphenyl)-2-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-3-yl)sulfanyl]acetamide

SMILES

COc(cc1)cc(NC(CSC(CCc(cccc2)c2N2)C2=O)=O)c1OC

InChI

InChI=1S/C20H22N2O4S/c1-25-14-8-9-17(26-2)16(11-14)21-19(23)12-27-18-10-7-13-5-3-4-6-15(13)22-20(18)24/h3-6,8-9,11,18H,7,10,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1

InChI Key

AKRJPWSBMPFKKA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10041864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.46

Polar Surface Area

62.801

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D715-1414 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D715-1414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1414?
Check Price and Availability of D715-1414, 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 D715-1414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1414
  • 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 D715-1414 available by request