3061-4454 Screening compound: 2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

3061-4454 Screening compound: 2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide
3061-4454 Screening compound: 2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4454
2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

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

3061-4454

Molecular Formula

C22H16FN3O3 (C22 H16 FN3 O3)

Compound Name

2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]benzamide

IUPAC name

2-fluoro-N-[2-(3-methoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl]benzamide

SMILES

COc1cccc(C(N2NC(c(cccc3)c3F)=O)=Nc(cccc3)c3C2=O)c1

InChI

InChI=1S/C22H16FN3O3/c1-29-15-8-6-7-14(13-15)20-24-19-12-5-3-10-17(19)22(28)26(20)25-21(27)16-9-2-4-11-18(16)23/h2-13H,1H3,(H,25,27)

InChI Key

OQMDPZDDZYLNLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.99

Polar Surface Area

59.295

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 3061-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3061-4454?
Check Price and Availability of 3061-4454, 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 3061-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4454
  • 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 3061-4454 available by request