3279-5101 Screening compound: (2E)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(4-methylphenyl)prop-2-enamide

3279-5101 Screening compound: (2E)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(4-methylphenyl)prop-2-enamide
3279-5101 Screening compound: (2E)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(4-methylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3279-5101
(2E)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-3-(4-methylphenyl)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

3279-5101

Molecular Formula

C25H21N3O3 (C25 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(/C=C/C(NN(C(c2cc(OC)ccc2)=Nc2c3cccc2)C3=O)=O)cc1

InChI

InChI=1S/C25H21N3O3/c1-17-10-12-18(13-11-17)14-15-23(29)27-28-24(19-6-5-7-20(16-19)31-2)26-22-9-4-3-8-21(22)25(28)30/h3-16H,1-2H3,(H,27,29)

InChI Key

RHAYJNNCACWKRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

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

3.982

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.27

Polar Surface Area

59.081

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3279-5101 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 3279-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3279-5101?
Check Price and Availability of 3279-5101, 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 3279-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3279-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3279-5101
  • 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 3279-5101 available by request