P885-0649 Screening compound: 2-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one

P885-0649 Screening compound: 2-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one
P885-0649 Screening compound: 2-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-(thiophen-3-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P885-0649
2-[1-(4-methoxybenzoyl)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

P885-0649

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N(CC1)CCC1N(C(C=C1)=O)N=C1c1cscc1)=O

InChI

InChI=1S/C21H21N3O3S/c1-27-18-4-2-15(3-5-18)21(26)23-11-8-17(9-12-23)24-20(25)7-6-19(22-24)16-10-13-28-14-16/h2-7,10,13-14,17H,8-9,11-12H2,1H3

InChI Key

VROGMOKOAABIQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.29

Polar Surface Area

51.980

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P885-0649 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P885-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P885-0649?
Check Price and Availability of P885-0649, 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 P885-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P885-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P885-0649
  • 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 P885-0649 available by request