M115-0284 Screening compound: 1-(3,5-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydropyridazin-4-one

M115-0284 Screening compound: 1-(3,5-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydropyridazin-4-one
M115-0284 Screening compound: 1-(3,5-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydropyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M115-0284
1-(3,5-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydropyridazin-4-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

M115-0284

Molecular Formula

C21H15F3N4O2 (C21 H15 F3 N4 O2)

Compound Name

1-(3,5-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydropyridazin-4-one

IUPAC name

1-(35-dimethylphenyl)-3-{3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}-14-dihydropyridazin-4-one

SMILES

Cc1cc(N(C=C2)N=C(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2=O)cc(C)c1

InChI

InChI=1S/C21H15F3N4O2/c1-12-8-13(2)10-16(9-12)28-7-6-17(29)18(26-28)20-25-19(27-30-20)14-4-3-5-15(11-14)21(22,23)24/h3-11H,1-2H3

InChI Key

OLBTVTNCSAPQAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.570

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-5.66

Polar Surface Area

58.055

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M115-0284 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M115-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M115-0284?
Check Price and Availability of M115-0284, 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 M115-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M115-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M115-0284
  • 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 M115-0284 available by request