8011-3807 Screening compound: 2-isobutyl-4-phenyl-1(2H)-phthalazinone

8011-3807 Screening compound: 2-isobutyl-4-phenyl-1(2H)-phthalazinone
8011-3807 Screening compound: 2-isobutyl-4-phenyl-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3807
2-isobutyl-4-phenyl-1(2H)-phthalazinone

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

8011-3807

Molecular Formula

C18H18N2O (C18 H18 N2 O)

Compound Name

2-isobutyl-4-phenyl-1(2H)-phthalazinone

IUPAC name

2-(2-methylpropyl)-4-phenyl-12-dihydrophthalazin-1-one

SMILES

CC(C)CN1N=C(c2ccccc2)c(cccc2)c2C1=O

InChI

InChI=1S/C18H18N2O/c1-13(2)12-20-18(21)16-11-7-6-10-15(16)17(19-20)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3

InChI Key

DNXIBLBDRWCOAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.79

Polar Surface Area

27.467

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8011-3807 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-3807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3807?
Check Price and Availability of 8011-3807, 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 8011-3807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3807
  • 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 8011-3807 available by request