G141-0064 Screening compound: ethyl 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

G141-0064 Screening compound: ethyl 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
G141-0064 Screening compound: ethyl 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G141-0064
ethyl 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

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

G141-0064

Molecular Formula

C22H21N3O6 (C22 H21 N3 O6)

Compound Name

ethyl 1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

IUPAC name

ethyl 1-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-7-methyl-4-oxo-14-dihydro-18-naphthyridine-3-carboxylate

SMILES

CCOC(C1=CN(CC(Nc(cc2)cc3c2OCCO3)=O)c(nc(C)cc2)c2C1=O)=O

InChI

InChI=1S/C22H21N3O6/c1-3-29-22(28)16-11-25(21-15(20(16)27)6-4-13(2)23-21)12-19(26)24-14-5-7-17-18(10-14)31-9-8-30-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,24,26)

InChI Key

BDKKPQXHEWLCKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

2.256

Water Solubility, LogSw

-3.05

Polar Surface Area

84.994

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G141-0064 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G141-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G141-0064?
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What is the minimum amount of G141-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G141-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G141-0064
  • 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 G141-0064 available by request