G741-0050 Screening compound: 4-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0050 Screening compound: 4-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0050 Screening compound: 4-({[(4-chlorophenyl)methyl]carbamoyl}methyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0050
4-({[(4-chlorophenyl)methyl]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

G741-0050

Molecular Formula

C25H22ClFN4O3 (C25 H22 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(C1)=O)c(cccc2)c2N1C(NCc(cc1)ccc1F)=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C25H22ClFN4O3/c26-19-9-5-17(6-10-19)13-28-23(32)15-30-21-3-1-2-4-22(21)31(16-24(30)33)25(34)29-14-18-7-11-20(27)12-8-18/h1-12H,13-16H2,(H,28,32)(H,29,34)

InChI Key

AHSZWOFYYCMHGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.60

Polar Surface Area

65.559

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G741-0050 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G741-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G741-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0050
  • 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 G741-0050 available by request