F279-0068 Screening compound: 4-(3-methoxyphenyl)-3-methyl-6-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

F279-0068 Screening compound: 4-(3-methoxyphenyl)-3-methyl-6-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
F279-0068 Screening compound: 4-(3-methoxyphenyl)-3-methyl-6-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F279-0068
4-(3-methoxyphenyl)-3-methyl-6-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]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

F279-0068

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(C(c2noc(C)c22)=O)N=C2c2cc(OC)ccc2)nc(-c2cccs2)o1

InChI

InChI=1S/C22H18N4O4S/c1-12-16(23-21(29-12)17-8-5-9-31-17)11-26-22(27)20-18(13(2)30-25-20)19(24-26)14-6-4-7-15(10-14)28-3/h4-10H,11H2,1-3H3

InChI Key

WKINJYSVBSHXOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.28

Polar Surface Area

76.202

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F279-0068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F279-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F279-0068?
Check Price and Availability of F279-0068, 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 F279-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F279-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F279-0068
  • 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 F279-0068 available by request