3401-5497 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(3-nitrophenyl)prop-2-enamide

3401-5497 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(3-nitrophenyl)prop-2-enamide
3401-5497 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5497
(2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(3-nitrophenyl)prop-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

3401-5497

Molecular Formula

C23H15FN4O4 (C23 H15 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(/C=C/C(NN(C(c(cccc2)c2F)=Nc2c3cccc2)C3=O)=O)c1)=O

InChI

InChI=1S/C23H15FN4O4/c24-19-10-3-1-8-17(19)22-25-20-11-4-2-9-18(20)23(30)27(22)26-21(29)13-12-15-6-5-7-16(14-15)28(31)32/h1-14H,(H,26,29)

InChI Key

MWQOAGMAPJTOGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.97

Polar Surface Area

84.919

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3401-5497 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3401-5497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5497?
Check Price and Availability of 3401-5497, 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 3401-5497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5497
  • 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 3401-5497 available by request