3401-5394 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(2-methoxyphenyl)prop-2-enamide

3401-5394 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
3401-5394 Screening compound: (2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(2-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5394
(2E)-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(2-methoxyphenyl)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

3401-5394

Molecular Formula

C24H18FN3O3 (C24 H18 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/C(NN(C(c(cccc2)c2F)=Nc2c3cccc2)C3=O)=O)cccc1

InChI

InChI=1S/C24H18FN3O3/c1-31-21-13-7-2-8-16(21)14-15-22(29)27-28-23(17-9-3-5-11-19(17)25)26-20-12-6-4-10-18(20)24(28)30/h2-15H,1H3,(H,27,29)

InChI Key

FZCAMMQNRZEULU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.83

Polar Surface Area

59.168

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3401-5394 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3401-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5394?
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What is the minimum amount of 3401-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5394
  • 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 3401-5394 available by request