8017-0651 Screening compound: 4,6-bis(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone

8017-0651 Screening compound: 4,6-bis(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone
8017-0651 Screening compound: 4,6-bis(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0651
4,6-bis(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone

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

8017-0651

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

4,6-bis(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone

IUPAC name

46-bis(4-methoxyphenyl)-2345-tetrahydropyridazin-3-one

SMILES

COc1ccc(C(CC(c(cc2)ccc2OC)=NN2)C2=O)cc1

InChI

InChI=1S/C18H18N2O3/c1-22-14-7-3-12(4-8-14)16-11-17(19-20-18(16)21)13-5-9-15(23-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,20,21)/t16-/m0/s1

InChI Key

GJNWFJAGCCQGPW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06013801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.20

Polar Surface Area

52.249

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8017-0651 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0651?
Check Price and Availability of 8017-0651, 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 8017-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0651
  • 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 8017-0651 available by request