F279-0246 Screening compound: 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[(4-methylphenyl)methyl]butanamide

F279-0246 Screening compound: 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[(4-methylphenyl)methyl]butanamide
F279-0246 Screening compound: 2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F279-0246
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-[(4-methylphenyl)methyl]butanamide

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

F279-0246

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc1ccc(C)cc1)=O)N(C(c1noc(C)c11)=O)N=C1c(cc1)ccc1OC

InChI

InChI=1S/C25H26N4O4/c1-5-20(24(30)26-14-17-8-6-15(2)7-9-17)29-25(31)23-21(16(3)33-28-23)22(27-29)18-10-12-19(32-4)13-11-18/h6-13,20H,5,14H2,1-4H3,(H,26,30)/t20-/m0/s1

InChI Key

JHPXYSUMQHIULG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27111331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.03

Polar Surface Area

79.864

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

F279-0246 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F279-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F279-0246?
Check Price and Availability of F279-0246, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F279-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F279-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F279-0246
  • 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 F279-0246 available by request