3470-5697 Screening compound: 3-(benzylamino)-2-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one

3470-5697 Screening compound: 3-(benzylamino)-2-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one
3470-5697 Screening compound: 3-(benzylamino)-2-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3470-5697
3-(benzylamino)-2-(4-fluorophenyl)-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

3470-5697

Molecular Formula

C21H16FN3O (C21 H16 FN3 O)

Compound Name

3-(benzylamino)-2-(4-fluorophenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(benzylamino)-2-(4-fluorophenyl)-34-dihydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N=C1c(cc2)ccc2F)N1NCc1ccccc1

InChI

InChI=1S/C21H16FN3O/c22-17-12-10-16(11-13-17)20-24-19-9-5-4-8-18(19)21(26)25(20)23-14-15-6-2-1-3-7-15/h1-13,23H,14H2

InChI Key

XYIWBSFVGJBPHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.62

Polar Surface Area

38.876

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3470-5697 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3470-5697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3470-5697?
Check Price and Availability of 3470-5697, 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 3470-5697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3470-5697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3470-5697
  • 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 3470-5697 available by request