4467-1088 Screening compound: 2-(4-chlorophenyl)-3-[3-(2,5-dimethylphenoxy)propyl]-3,4-dihydroquinazolin-4-one

4467-1088 Screening compound: 2-(4-chlorophenyl)-3-[3-(2,5-dimethylphenoxy)propyl]-3,4-dihydroquinazolin-4-one
4467-1088 Screening compound: 2-(4-chlorophenyl)-3-[3-(2,5-dimethylphenoxy)propyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4467-1088
2-(4-chlorophenyl)-3-[3-(2,5-dimethylphenoxy)propyl]-3,4-dihydroquinazolin-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

4467-1088

Molecular Formula

C25H23ClN2O2 (C25 H23 ClN2 O2)

Compound Name

2-(4-chlorophenyl)-3-[3-(2,5-dimethylphenoxy)propyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-(4-chlorophenyl)-3-[3-(25-dimethylphenoxy)propyl]-34-dihydroquinazolin-4-one

SMILES

Cc1cc(OCCCN(C(c(cc2)ccc2Cl)=Nc2c3cccc2)C3=O)c(C)cc1

InChI

InChI=1S/C25H23ClN2O2/c1-17-8-9-18(2)23(16-17)30-15-5-14-28-24(19-10-12-20(26)13-11-19)27-22-7-4-3-6-21(22)25(28)29/h3-4,6-13,16H,5,14-15H2,1-2H3

InChI Key

OFVPKCTZFODFAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.017

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-5.95

Polar Surface Area

32.833

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4467-1088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4467-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4467-1088?
Check Price and Availability of 4467-1088, 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 4467-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4467-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4467-1088
  • 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 4467-1088 available by request