3562-5745 Screening compound: 2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-3,4-dihydroquinazolin-4-one

3562-5745 Screening compound: 2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-3,4-dihydroquinazolin-4-one
3562-5745 Screening compound: 2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3562-5745
2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-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

3562-5745

Molecular Formula

C21H16FN3O2 (C21 H16 FN3 O2)

Compound Name

2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-3,4-dihydroquinazolin-4-one

IUPAC name

2-(4-fluorophenyl)-3-{[(2-hydroxyphenyl)methyl]amino}-34-dihydroquinazolin-4-one

SMILES

Oc1c(CNN(C(c(cc2)ccc2F)=Nc2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C21H16FN3O2/c22-16-11-9-14(10-12-16)20-24-18-7-3-2-6-17(18)21(27)25(20)23-13-15-5-1-4-8-19(15)26/h1-12,23,26H,13H2

InChI Key

QHPWVSMQNYFASY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.36

Polar Surface Area

55.424

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3562-5745 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3562-5745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3562-5745?
Check Price and Availability of 3562-5745, 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 3562-5745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3562-5745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3562-5745
  • 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 3562-5745 available by request