P500-0248 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one

P500-0248 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one
P500-0248 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P500-0248
1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-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

P500-0248

Molecular Formula

C21H20FN3O4 (C21 H20 FN3 O4)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-6'-fluoro-1'-methyl-3'4'-dihydro-1'H-spiro[piperidine-42'-quinazolin]-4'-one

SMILES

CN(C(CC1)(CCN1C(c(cc1)cc2c1OCO2)=O)N1)c(ccc(F)c2)c2C1=O

InChI

InChI=1S/C21H20FN3O4/c1-24-16-4-3-14(22)11-15(16)19(26)23-21(24)6-8-25(9-7-21)20(27)13-2-5-17-18(10-13)29-12-28-17/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)

InChI Key

PTNAKDUOQGODNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.893

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.80

Polar Surface Area

60.755

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P500-0248 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P500-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P500-0248?
Check Price and Availability of P500-0248, 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 P500-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P500-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P500-0248
  • 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 P500-0248 available by request