8018-7251 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

8018-7251 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
8018-7251 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7251
N-[(furan-2-yl)methyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

8018-7251

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

N-[(furan-2-yl)methyl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-3-methyl-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CN1N=C(C(NCc2ccco2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C15H13N3O3/c1-18-15(20)12-7-3-2-6-11(12)13(17-18)14(19)16-9-10-5-4-8-21-10/h2-8H,9H2,1H3,(H,16,19)

InChI Key

ITAGEYDMPAVQIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06344002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

1.437

Water Solubility, LogSw

-2.01

Polar Surface Area

59.580

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-7251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Fragments Library (11262 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-7251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7251?
Check Price and Availability of 8018-7251, 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 8018-7251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7251
  • 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 8018-7251 available by request