8001-3552 Screening compound: 4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

8001-3552 Screening compound: 4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
8001-3552 Screening compound: 4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3552
4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

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

8001-3552

Molecular Formula

C15H19N3OS (C15 H19 N3 OS)

Compound Name

4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

IUPAC name

4-oxo-2-(propylsulfanyl)-3-azaspiro[5.5]undec-1-ene-15-dicarbonitrile

SMILES

CCCSC(NC(C(C12CCCCC2)C#N)=O)=C1C#N

InChI

InChI=1S/C15H19N3OS/c1-2-8-20-14-12(10-17)15(6-4-3-5-7-15)11(9-16)13(19)18-14/h11H,2-8H2,1H3,(H,18,19)/t11-/m0/s1

InChI Key

ABNQOSOLNPDKTK-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.75

Polar Surface Area

58.492

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

8001-3552 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8001-3552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3552?
Check Price and Availability of 8001-3552, 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 8001-3552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3552
  • 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 8001-3552 available by request