D073-0095 Screening compound: N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-carboxamide

D073-0095 Screening compound: N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-carboxamide
D073-0095 Screening compound: N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0095
N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-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

D073-0095

Molecular Formula

C22H17N5O2 (C22 H17 N5 O2)

Compound Name

N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-carboxamide

IUPAC name

N-({6-methyl-[124]triazolo[34-a]phthalazin-3-yl}methyl)-N-phenylfuran-2-carboxamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1CN(C(c1ccco1)=O)c1ccccc1

InChI

InChI=1S/C22H17N5O2/c1-15-17-10-5-6-11-18(17)21-24-23-20(27(21)25-15)14-26(16-8-3-2-4-9-16)22(28)19-12-7-13-29-19/h2-13H,14H2,1H3

InChI Key

FWNITMUEKZWYPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06001431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-2.90

Polar Surface Area

58.426

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D073-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D073-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0095?
Check Price and Availability of D073-0095, 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 D073-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0095
  • 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 D073-0095 available by request