C250-0313 Screening compound: 3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

C250-0313 Screening compound: 3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
C250-0313 Screening compound: 3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0313
3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-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

C250-0313

Molecular Formula

C15H18N2O (C15 H18 N2 O)

Compound Name

3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

IUPAC name

3-(4-methylphenyl)-14-diazaspiro[4.5]dec-3-en-2-one

SMILES

Cc(cc1)ccc1C1=NC2(CCCCC2)NC1=O

InChI

InChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)13-14(18)17-15(16-13)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,17,18)

InChI Key

LJAJWZUYWYHXGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19104840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.32

Polar Surface Area

33.781

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C250-0313 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C250-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0313?
Check Price and Availability of C250-0313, 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 C250-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0313
  • 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 C250-0313 available by request