F279-0116 Screening compound: 2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

F279-0116 Screening compound: 2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
F279-0116 Screening compound: 2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F279-0116
2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

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

F279-0116

Molecular Formula

C23H19F3N4O4 (C23 H19 F3 N4 O4)

Compound Name

2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

IUPAC name

2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-6H7H-[12]oxazolo[34-d]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

SMILES

CC(C(Nc1c(C(F)(F)F)cccc1)=O)N(C(c1noc(C)c11)=O)N=C1c1cc(OC)ccc1

InChI

InChI=1S/C23H19F3N4O4/c1-12(21(31)27-17-10-5-4-9-16(17)23(24,25)26)30-22(32)20-18(13(2)34-29-20)19(28-30)14-7-6-8-15(11-14)33-3/h4-12H,1-3H3,(H,27,31)/t12-/m0/s1

InChI Key

NHROTUMNNVTNNP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27111284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.47

Polar Surface Area

78.260

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

F279-0116 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 F279-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F279-0116?
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What is the minimum amount of F279-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F279-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F279-0116
  • 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 F279-0116 available by request