F279-0161 Screening compound: 4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

F279-0161 Screening compound: 4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
F279-0161 Screening compound: 4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F279-0161
4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

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

F279-0161

Molecular Formula

C25H22N4O5 (C25 H22 N4 O5)

Compound Name

4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-methyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

IUPAC name

4-(3-methoxyphenyl)-6-{[2-(2-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-3-methyl-6H7H-[12]oxazolo[34-d]pyridazin-7-one

SMILES

Cc1c(CN(C(c2noc(C)c22)=O)N=C2c2cc(OC)ccc2)nc(-c(cccc2)c2OC)o1

InChI

InChI=1S/C25H22N4O5/c1-14-19(26-24(33-14)18-10-5-6-11-20(18)32-4)13-29-25(30)23-21(15(2)34-28-23)22(27-29)16-8-7-9-17(12-16)31-3/h5-12H,13H2,1-4H3

InChI Key

NGEUOVRIKPYTRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-4.09

Polar Surface Area

82.814

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F279-0161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F279-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F279-0161?
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What is the minimum amount of F279-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F279-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F279-0161
  • 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 F279-0161 available by request