F990-0251 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one

F990-0251 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one
F990-0251 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F990-0251
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-chlorophenyl)-1,2-dihydrophthalazin-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

F990-0251

Molecular Formula

C23H13ClN4O4 (C23 H13 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(c(cc2)ccc2Cl)N=C(c2nc(-c(cc3)cc4c3OCO4)no2)c2c1cccc2

InChI

InChI=1S/C23H13ClN4O4/c24-14-6-8-15(9-7-14)28-23(29)17-4-2-1-3-16(17)20(26-28)22-25-21(27-32-22)13-5-10-18-19(11-13)31-12-30-18/h1-11H,12H2

InChI Key

KLWWYTGUOMLNAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18788806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.65

Polar Surface Area

74.569

Acid Dissociation Constant (pKa)

37.46

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

F990-0251 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with F990-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F990-0251?
Check Price and Availability of F990-0251, 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 F990-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F990-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F990-0251
  • 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 F990-0251 available by request