D118-0072 Screening compound: methyl 3-(4-acetamidophenoxy)-5,6-diphenylpyridazine-4-carboxylate

D118-0072 Screening compound: methyl 3-(4-acetamidophenoxy)-5,6-diphenylpyridazine-4-carboxylate
D118-0072 Screening compound: methyl 3-(4-acetamidophenoxy)-5,6-diphenylpyridazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D118-0072
methyl 3-(4-acetamidophenoxy)-5,6-diphenylpyridazine-4-carboxylate

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

D118-0072

Molecular Formula

C26H21N3O4 (C26 H21 N3 O4)

Compound Name

methyl 3-(4-acetamidophenoxy)-5,6-diphenylpyridazine-4-carboxylate

IUPAC name

methyl 3-(4-acetamidophenoxy)-56-diphenylpyridazine-4-carboxylate

SMILES

CC(Nc(cc1)ccc1Oc1c(C(OC)=O)c(-c2ccccc2)c(-c2ccccc2)nn1)=O

InChI

InChI=1S/C26H21N3O4/c1-17(30)27-20-13-15-21(16-14-20)33-25-23(26(31)32-2)22(18-9-5-3-6-10-18)24(28-29-25)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,27,30)

InChI Key

RJQBUKMIUGGTJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06762955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.55

Polar Surface Area

74.150

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D118-0072 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D118-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D118-0072?
Check Price and Availability of D118-0072, 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 D118-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D118-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D118-0072
  • 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 D118-0072 available by request