M115-1112 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)-1,4-dihydropyridazin-4-one

M115-1112 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)-1,4-dihydropyridazin-4-one
M115-1112 Screening compound: 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)-1,4-dihydropyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M115-1112
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)-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

M115-1112

Molecular Formula

C22H19FN4O2 (C22 H19 FN4 O2)

Compound Name

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-(3-fluorophenyl)-1,4-dihydropyridazin-4-one

IUPAC name

3-[3-(4-tert-butylphenyl)-124-oxadiazol-5-yl]-1-(3-fluorophenyl)-14-dihydropyridazin-4-one

SMILES

CC(C)(C)c(cc1)ccc1-c1noc(C(C(C=C2)=O)=NN2c2cccc(F)c2)n1

InChI

InChI=1S/C22H19FN4O2/c1-22(2,3)15-9-7-14(8-10-15)20-24-21(29-26-20)19-18(28)11-12-27(25-19)17-6-4-5-16(23)13-17/h4-13H,1-3H3

InChI Key

JJEQNJANTQNFOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

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

5.645

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-5.51

Polar Surface Area

58.055

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M115-1112 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M115-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M115-1112?
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What is the minimum amount of M115-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M115-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M115-1112
  • 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 M115-1112 available by request