G117-0381 Screening compound: N-(4-chloro-2-methylphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

G117-0381 Screening compound: N-(4-chloro-2-methylphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
G117-0381 Screening compound: N-(4-chloro-2-methylphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0381
N-(4-chloro-2-methylphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

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

G117-0381

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

N-(4-chloro-2-methylphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

IUPAC name

N-(4-chloro-2-methylphenyl)-4-oxo-4-(2345-tetrahydro-1H-1-benzazepin-1-yl)butanamide

SMILES

Cc(cc(cc1)Cl)c1NC(CCC(N(CCCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C21H23ClN2O2/c1-15-14-17(22)9-10-18(15)23-20(25)11-12-21(26)24-13-5-4-7-16-6-2-3-8-19(16)24/h2-3,6,8-10,14H,4-5,7,11-13H2,1H3,(H,23,25)

InChI Key

QJZFLVACHXQJIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.43

Polar Surface Area

37.806

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G117-0381 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G117-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0381?
Check Price and Availability of G117-0381, 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 G117-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0381
  • 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 G117-0381 available by request