F982-0077 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

F982-0077 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one
F982-0077 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F982-0077
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-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

F982-0077

Molecular Formula

C25H17N3O5 (C25 H17 N3 O5)

Compound Name

4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-2-(3-methoxyphenyl)-12-dihydroisoquinolin-1-one

SMILES

COc1cccc(N(C=C(c2nc(-c(cc3)cc4c3OCO4)no2)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C25H17N3O5/c1-30-17-6-4-5-16(12-17)28-13-20(18-7-2-3-8-19(18)25(28)29)24-26-23(27-33-24)15-9-10-21-22(11-15)32-14-31-21/h2-13H,14H2,1H3

InChI Key

XGQZHQLAZSRRHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.52

Polar Surface Area

71.819

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with F982-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F982-0077?
Check Price and Availability of F982-0077, 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 F982-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F982-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F982-0077
  • 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 F982-0077 available by request