P885-0686 Screening compound: 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one

P885-0686 Screening compound: 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one
P885-0686 Screening compound: 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P885-0686
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one

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

P885-0686

Molecular Formula

C20H17F2N3O2S (C20 H17 F2 N3 O2 S)

Compound Name

2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one

IUPAC name

2-[1-(24-difluorobenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-23-dihydropyridazin-3-one

SMILES

O=C(c(ccc(F)c1)c1F)N(CC1)CCC1N(C(C=C1)=O)N=C1c1cscc1

InChI

InChI=1S/C20H17F2N3O2S/c21-14-1-2-16(17(22)11-14)20(27)24-8-5-15(6-9-24)25-19(26)4-3-18(23-25)13-7-10-28-12-13/h1-4,7,10-12,15H,5-6,8-9H2

InChI Key

SUIGHJKYLPUSFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.08

Polar Surface Area

44.436

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P885-0686 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P885-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P885-0686?
Check Price and Availability of P885-0686, 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 P885-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P885-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P885-0686
  • 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 P885-0686 available by request