G741-0018 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

G741-0018 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
G741-0018 Screening compound: 4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G741-0018
4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-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

G741-0018

Molecular Formula

C25H27FN4O5 (C25 H27 FN4 O5)

Compound Name

4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide

IUPAC name

4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-oxo-1234-tetrahydroquinoxaline-1-carboxamide

SMILES

O=C(CN(C(C1)=O)c(cccc2)c2N1C(NCc(cc1)ccc1F)=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C25H27FN4O5/c26-19-7-5-18(6-8-19)15-27-24(33)30-17-23(32)29(20-3-1-2-4-21(20)30)16-22(31)28-11-9-25(10-12-28)34-13-14-35-25/h1-8H,9-17H2,(H,27,33)

InChI Key

PDQFFFWJFAJWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.065

Distribution Coefficient, logD

1.065

Water Solubility, LogSw

-2.07

Polar Surface Area

71.917

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G741-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G741-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G741-0018?
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What is the minimum amount of G741-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G741-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G741-0018
  • 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 G741-0018 available by request