G741-0390 Screening compound: 4-({[3-(azepan-1-yl)propyl]carbamoyl}methyl)-N-benzyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0390 Screening compound: 4-({[3-(azepan-1-yl)propyl]carbamoyl}methyl)-N-benzyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0390 Screening compound: 4-({[3-(azepan-1-yl)propyl]carbamoyl}methyl)-N-benzyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0390
4-({[3-(azepan-1-yl)propyl]carbamoyl}methyl)-N-benzyl-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

G741-0390

Molecular Formula

C27H35N5O3 (C27 H35 N5 O3)

Compound Name

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

IUPAC name

4-({[3-(azepan-1-yl)propyl]carbamoyl}methyl)-N-benzyl-3-oxo-1234-tetrahydroquinoxaline-1-carboxamide

SMILES

O=C(CN(C(C1)=O)c(cccc2)c2N1C(NCc1ccccc1)=O)NCCCN1CCCCCC1

InChI

InChI=1S/C27H35N5O3/c33-25(28-15-10-18-30-16-8-1-2-9-17-30)20-31-23-13-6-7-14-24(23)32(21-26(31)34)27(35)29-19-22-11-4-3-5-12-22/h3-7,11-14H,1-2,8-10,15-21H2,(H,28,33)(H,29,35)

InChI Key

BFRZEESBQIXBQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

2.262

Distribution Coefficient, logD

-0.366

Water Solubility, LogSw

-2.68

Polar Surface Area

69.714

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G741-0390 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G741-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0390?
Check Price and Availability of G741-0390, 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 G741-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0390
  • 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 G741-0390 available by request