8012-8679 Screening compound: 2-[(3-bromophenyl)methyl]-1,2-dihydrophthalazin-1-one

8012-8679 Screening compound: 2-[(3-bromophenyl)methyl]-1,2-dihydrophthalazin-1-one
8012-8679 Screening compound: 2-[(3-bromophenyl)methyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8679
2-[(3-bromophenyl)methyl]-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

8012-8679

Molecular Formula

C15H11BrN2O (C15 H11 BrN2 O)

Compound Name

2-[(3-bromophenyl)methyl]-1,2-dihydrophthalazin-1-one

IUPAC name

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

SMILES

O=C1N(Cc2cccc(Br)c2)N=Cc2c1cccc2

InChI

InChI=1S/C15H11BrN2O/c16-13-6-3-4-11(8-13)10-18-15(19)14-7-2-1-5-12(14)9-17-18/h1-9H,10H2

InChI Key

CTAAEVAOZYPZLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-3.48

Polar Surface Area

28.230

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8012-8679 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8012-8679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8679?
Check Price and Availability of 8012-8679, 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 8012-8679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8679
  • 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 8012-8679 available by request