3091-4660 Screening compound: N-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-4-fluorobenzamide

3091-4660 Screening compound: N-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-4-fluorobenzamide
3091-4660 Screening compound: N-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4660
N-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-4-fluorobenzamide

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

3091-4660

Molecular Formula

C23H18FN3O4 (C23 H18 FN3 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-4-fluorobenzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)-4-oxo-34-dihydroquinazolin-3-yl]-4-fluorobenzamide

SMILES

COc(ccc(C(N1NC(c(cc2)ccc2F)=O)=Nc(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C23H18FN3O4/c1-30-19-12-9-15(13-20(19)31-2)21-25-18-6-4-3-5-17(18)23(29)27(21)26-22(28)14-7-10-16(24)11-8-14/h3-13H,1-2H3,(H,26,28)

InChI Key

ADSWCVSZHISZSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-2.97

Polar Surface Area

67.012

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3091-4660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4660?
Check Price and Availability of 3091-4660, 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 3091-4660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4660
  • 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 3091-4660 available by request