8011-3427 Screening compound: 2-(3-bromobenzyl)-4-phenyl-1(2H)-phthalazinone

8011-3427 Screening compound: 2-(3-bromobenzyl)-4-phenyl-1(2H)-phthalazinone
8011-3427 Screening compound: 2-(3-bromobenzyl)-4-phenyl-1(2H)-phthalazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3427
2-(3-bromobenzyl)-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

8011-3427

Molecular Formula

C21H15BrN2O (C21 H15 BrN2 O)

Compound Name

2-(3-bromobenzyl)-4-phenyl-1(2H)-phthalazinone

IUPAC name

2-[(3-bromophenyl)methyl]-4-phenyl-12-dihydrophthalazin-1-one

SMILES

O=C1N(Cc2cccc(Br)c2)N=C(c2ccccc2)c2c1cccc2

InChI

InChI=1S/C21H15BrN2O/c22-17-10-6-7-15(13-17)14-24-21(25)19-12-5-4-11-18(19)20(23-24)16-8-2-1-3-9-16/h1-13H,14H2

InChI Key

JXOMEZRXVSGFTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.27

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

4.582

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.64

Polar Surface Area

27.195

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

8011-3427 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-3427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3427?
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What is the minimum amount of 8011-3427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3427
  • 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 8011-3427 available by request