G741-0406 Screening compound: N-benzyl-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0406 Screening compound: N-benzyl-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0406 Screening compound: N-benzyl-4-[({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0406
N-benzyl-4-[({[4-(methylsulfanyl)phenyl]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

G741-0406

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CNC(CN(C(C2)=O)c(cccc3)c3N2C(NCc2ccccc2)=O)=O)cc1

InChI

InChI=1S/C26H26N4O3S/c1-34-21-13-11-20(12-14-21)15-27-24(31)17-29-22-9-5-6-10-23(22)30(18-25(29)32)26(33)28-16-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,27,31)(H,28,33)

InChI Key

YUJGARONSWSGEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.70

Polar Surface Area

65.559

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G741-0406 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G741-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0406?
Check Price and Availability of G741-0406, 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 G741-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0406
  • 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 G741-0406 available by request