3406-0610 Screening compound: 2-[4-METHYL-1-OXO-2(1H)-PHTHALAZINYL]BENZOIC ACID

3406-0610 Screening compound: 2-[4-METHYL-1-OXO-2(1H)-PHTHALAZINYL]BENZOIC ACID
3406-0610 Screening compound: 2-[4-METHYL-1-OXO-2(1H)-PHTHALAZINYL]BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 3406-0610
2-[4-METHYL-1-OXO-2(1H)-PHTHALAZINYL]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

3406-0610

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

2-[4-METHYL-1-OXO-2(1H)-PHTHALAZINYL]BENZOIC ACID

IUPAC name

n/a

SMILES

CC(c1c2cccc1)=NN(c(cccc1)c1C(O)=O)C2=O

InChI

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

InChI Key

VERHIRUGYPKZTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577827

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

2.689

Distribution Coefficient, logD

-1.940

Water Solubility, LogSw

-3.03

Polar Surface Area

53.328

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

3406-0610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3406-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3406-0610?
Check Price and Availability of 3406-0610, 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 3406-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0610
  • 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 3406-0610 available by request