G790-0294 Screening compound: methyl 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate

G790-0294 Screening compound: methyl 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
G790-0294 Screening compound: methyl 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G790-0294
methyl 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-1,2-oxazole-4-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

G790-0294

Molecular Formula

C19H15FN2O5 (C19 H15 FN2 O5)

Compound Name

methyl 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate

IUPAC name

methyl 5-{[(2H-13-benzodioxol-5-yl)methyl]amino}-3-(4-fluorophenyl)-12-oxazole-4-carboxylate

SMILES

COC(c1c(NCc(cc2)cc3c2OCO3)onc1-c(cc1)ccc1F)=O

InChI

InChI=1S/C19H15FN2O5/c1-24-19(23)16-17(12-3-5-13(20)6-4-12)22-27-18(16)21-9-11-2-7-14-15(8-11)26-10-25-14/h2-8,21H,9-10H2,1H3

InChI Key

KPTDDLRBOKVVIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.34

Polar Surface Area

71.349

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G790-0294 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G790-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G790-0294?
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What is the minimum amount of G790-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G790-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G790-0294
  • 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 G790-0294 available by request