D118-0069 Screening compound: methyl 3-(4-bromophenoxy)-5,6-diphenylpyridazine-4-carboxylate

D118-0069 Screening compound: methyl 3-(4-bromophenoxy)-5,6-diphenylpyridazine-4-carboxylate
D118-0069 Screening compound: methyl 3-(4-bromophenoxy)-5,6-diphenylpyridazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D118-0069
methyl 3-(4-bromophenoxy)-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

D118-0069

Molecular Formula

C24H17BrN2O3 (C24 H17 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(-c2ccccc2)c(-c2ccccc2)nnc1Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C24H17BrN2O3/c1-29-24(28)21-20(16-8-4-2-5-9-16)22(17-10-6-3-7-11-17)26-27-23(21)30-19-14-12-18(25)13-15-19/h2-15H,1H3

InChI Key

SNSKZKWDBOTRMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06762953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.083

Distribution Coefficient, logD

6.083

Water Solubility, LogSw

-5.82

Polar Surface Area

50.888

Acid Dissociation Constant (pKa)

32.91

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

D118-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D118-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D118-0069?
Check Price and Availability of D118-0069, 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 D118-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D118-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D118-0069
  • 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 D118-0069 available by request