G741-0400 Screening compound: N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0400 Screening compound: N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0400 Screening compound: N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0400
N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

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

G741-0400

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

IUPAC name

N-benzyl-4-({[(2-ethoxyphenyl)methyl]carbamoyl}methyl)-3-oxo-1234-tetrahydroquinoxaline-1-carboxamide

SMILES

CCOc1c(CNC(CN(C(C2)=O)c(cccc3)c3N2C(NCc2ccccc2)=O)=O)cccc1

InChI

InChI=1S/C27H28N4O4/c1-2-35-24-15-9-6-12-21(24)17-28-25(32)18-30-22-13-7-8-14-23(22)31(19-26(30)33)27(34)29-16-20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H,28,32)(H,29,34)

InChI Key

SDAJDVLCJBXPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.39

Polar Surface Area

72.769

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G741-0400 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G741-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0400?
Check Price and Availability of G741-0400, 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 G741-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0400
  • 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 G741-0400 available by request