C250-0002 Screening compound: 3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione

C250-0002 Screening compound: 3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
C250-0002 Screening compound: 3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0002
3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione

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

C250-0002

Molecular Formula

C14H16N2S (C14 H16 N2 S)

Compound Name

3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione

IUPAC name

3-phenyl-14-diazaspiro[4.5]dec-3-ene-2-thione

SMILES

S=C1NC2(CCCCC2)N=C1c1ccccc1

InChI

InChI=1S/C14H16N2S/c17-13-12(11-7-3-1-4-8-11)15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)

InChI Key

QFNMCEHDUIVPLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02311198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.18

Polar Surface Area

20.700

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C250-0002 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C250-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0002?
Check Price and Availability of C250-0002, 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 C250-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0002
  • 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 C250-0002 available by request