7682-0073 Screening compound: 4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

7682-0073 Screening compound: 4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile
7682-0073 Screening compound: 4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0073
4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

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

7682-0073

Molecular Formula

C20H25N5O (C20 H25 N5 O)

Compound Name

4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-2-ene-5-carbonitrile

IUPAC name

n/a

SMILES

N#CC(C1(CCCCC1)NC(N(CC1)CCN1c1ccccc1)=N1)C1=O

InChI

InChI=1S/C20H25N5O/c21-15-17-18(26)22-19(23-20(17)9-5-2-6-10-20)25-13-11-24(12-14-25)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-14H2,(H,22,23,26)/t17-/m1/s1

InChI Key

WTPCNJYZYTZVHC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06192143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

-2.255

Water Solubility, LogSw

-2.88

Polar Surface Area

59.264

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

7682-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7682-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0073?
Check Price and Availability of 7682-0073, 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 7682-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0073
  • 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 7682-0073 available by request