P501-1118 Screening compound: 7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxamide

P501-1118 Screening compound: 7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxamide
P501-1118 Screening compound: 7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P501-1118
7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxamide

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

P501-1118

Molecular Formula

C23H27ClN4O2 (C23 H27 ClN4 O2)

Compound Name

7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxamide

IUPAC name

7'-chloro-1'-ethyl-N-(4-ethylphenyl)-4'-oxo-3'4'-dihydro-1'H-spiro[piperidine-42'-quinazoline]-1-carboxamide

SMILES

CCc(cc1)ccc1NC(N(CC1)CCC1(N1)N(CC)c(cc(cc2)Cl)c2C1=O)=O

InChI

InChI=1S/C23H27ClN4O2/c1-3-16-5-8-18(9-6-16)25-22(30)27-13-11-23(12-14-27)26-21(29)19-10-7-17(24)15-20(19)28(23)4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,30)(H,26,29)

InChI Key

NCTZPDUHISAJSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.58

Polar Surface Area

52.419

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P501-1118 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P501-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P501-1118?
Check Price and Availability of P501-1118, 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 P501-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P501-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P501-1118
  • 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 P501-1118 available by request