3401-5391 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide

3401-5391 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide
3401-5391 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5391
(2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide

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

3401-5391

Molecular Formula

C24H18FN3O2 (C24 H18 FN3 O2)

Compound Name

(2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[2-(2-fluorophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-2-methyl-3-phenylprop-2-enamide

SMILES

C/C(/C(NN(C(c(cccc1)c1F)=Nc1c2cccc1)C2=O)=O)=C\c1ccccc1

InChI

InChI=1S/C24H18FN3O2/c1-16(15-17-9-3-2-4-10-17)23(29)27-28-22(18-11-5-7-13-20(18)25)26-21-14-8-6-12-19(21)24(28)30/h2-15H,1H3,(H,27,29)

InChI Key

MCZGTPSSOITVTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.91

Polar Surface Area

51.751

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-11.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3401-5391 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3401-5391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5391?
Check Price and Availability of 3401-5391, 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 3401-5391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5391
  • 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 3401-5391 available by request