S396-0993 Screening compound: 2-(CYCLOPROPYLMETHYL)-5-{3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]PIPERIDINO}-3(2H)-PYRIDAZINONE

S396-0993 Screening compound: 2-(CYCLOPROPYLMETHYL)-5-{3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]PIPERIDINO}-3(2H)-PYRIDAZINONE
S396-0993 Screening compound: 2-(CYCLOPROPYLMETHYL)-5-{3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]PIPERIDINO}-3(2H)-PYRIDAZINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S396-0993
2-(CYCLOPROPYLMETHYL)-5-{3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]PIPERIDINO}-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

S396-0993

Molecular Formula

C25H33N5O2 (C25 H33 N5 O2)

Compound Name

2-(CYCLOPROPYLMETHYL)-5-{3-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]PIPERIDINO}-3(2H)-PYRIDAZINONE

IUPAC name

n/a

SMILES

O=C(CC(CCC1)CN1C(C=NN1CC2CC2)=CC1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H33N5O2/c31-24(28-13-11-27(12-14-28)22-6-2-1-3-7-22)15-21-5-4-10-29(18-21)23-16-25(32)30(26-17-23)19-20-8-9-20/h1-3,6-7,16-17,20-21H,4-5,8-15,18-19H2/t21-/m1/s1

InChI Key

XSBFDEACKYTTBG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29003738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.709

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-2.96

Polar Surface Area

52.331

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

S396-0993 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S396-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S396-0993?
Check Price and Availability of S396-0993, 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 S396-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S396-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S396-0993
  • 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 S396-0993 available by request