1650-0637 Screening compound: 4-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)benzoic acid

1650-0637 Screening compound: 4-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)benzoic acid
1650-0637 Screening compound: 4-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1650-0637
4-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)benzoic acid

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

1650-0637

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

4-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)benzoic acid

IUPAC name

4-(4-methyl-1-oxo-12-dihydrophthalazin-2-yl)benzoic acid

SMILES

CC(c1c2cccc1)=NN(c(cc1)ccc1C(O)=O)C2=O

InChI

InChI=1S/C16H12N2O3/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(7-9-12)16(20)21/h2-9H,1H3,(H,20,21)

InChI Key

NZVDHFVMZUBELK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

0.363

Water Solubility, LogSw

-3.12

Polar Surface Area

53.629

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1650-0637 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1650-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1650-0637?
Check Price and Availability of 1650-0637, 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 1650-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1650-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1650-0637
  • 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 1650-0637 available by request