D279-0022 Screening compound: methyl 4-{[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}benzoate

D279-0022 Screening compound: methyl 4-{[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}benzoate
D279-0022 Screening compound: methyl 4-{[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D279-0022
methyl 4-{[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}benzoate

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

D279-0022

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

methyl 4-{[3-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]methyl}benzoate

IUPAC name

methyl 4-{[3-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-1-yl]methyl}benzoate

SMILES

Cc(cc1)c(C)cc1C(C=C1)=NN(Cc(cc2)ccc2C(OC)=O)C1=O

InChI

InChI=1S/C21H20N2O3/c1-14-4-7-18(12-15(14)2)19-10-11-20(24)23(22-19)13-16-5-8-17(9-6-16)21(25)26-3/h4-12H,13H2,1-3H3

InChI Key

KINBGYLVYJZWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.35

Polar Surface Area

49.721

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D279-0022 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D279-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D279-0022?
Check Price and Availability of D279-0022, 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 D279-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D279-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D279-0022
  • 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 D279-0022 available by request