G117-0378 Screening compound: N-(4-ethoxyphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

G117-0378 Screening compound: N-(4-ethoxyphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
G117-0378 Screening compound: N-(4-ethoxyphenyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0378
N-(4-ethoxyphenyl)-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

G117-0378

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

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

IUPAC name

N-(4-ethoxyphenyl)-4-oxo-4-(2345-tetrahydro-1H-1-benzazepin-1-yl)butanamide

SMILES

CCOc(cc1)ccc1NC(CCC(N(CCCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C22H26N2O3/c1-2-27-19-12-10-18(11-13-19)23-21(25)14-15-22(26)24-16-6-5-8-17-7-3-4-9-20(17)24/h3-4,7,9-13H,2,5-6,8,14-16H2,1H3,(H,23,25)

InChI Key

MURXKPOACGQFTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.87

Polar Surface Area

45.628

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G117-0378 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G117-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0378?
Check Price and Availability of G117-0378, 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 G117-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0378
  • 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 G117-0378 available by request