G741-0063 Screening compound: 4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0063 Screening compound: 4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0063 Screening compound: 4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0063
4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)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

G741-0063

Molecular Formula

C22H26FN5O3 (C22 H26 FN5 O3)

Compound Name

4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

IUPAC name

4-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1234-tetrahydroquinoxaline-1-carboxamide

SMILES

CN(C)CCNC(CN(C(C1)=O)c(cccc2)c2N1C(NCc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C22H26FN5O3/c1-26(2)12-11-24-20(29)14-27-18-5-3-4-6-19(18)28(15-21(27)30)22(31)25-13-16-7-9-17(23)10-8-16/h3-10H,11-15H2,1-2H3,(H,24,29)(H,25,31)

InChI Key

PLVFBKDWKZYKDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.829

Distribution Coefficient, logD

-0.506

Water Solubility, LogSw

-2.01

Polar Surface Area

69.538

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G741-0063 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 G741-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0063?
Check Price and Availability of G741-0063, 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 G741-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0063
  • 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 G741-0063 available by request