3279-5202 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide

3279-5202 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide
3279-5202 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3279-5202
(2E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]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

3279-5202

Molecular Formula

C23H15ClFN3O2 (C23 H15 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C=C/c(cccc1)c1Cl)NN(C(c(cc1)ccc1F)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C23H15ClFN3O2/c24-19-7-3-1-5-15(19)11-14-21(29)27-28-22(16-9-12-17(25)13-10-16)26-20-8-4-2-6-18(20)23(28)30/h1-14H,(H,27,29)

InChI Key

GZKVZYDGVVNPFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.84

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

4.082

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.52

Polar Surface Area

51.538

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3279-5202 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3279-5202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3279-5202?
Check Price and Availability of 3279-5202, 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 3279-5202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3279-5202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3279-5202
  • 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 3279-5202 available by request