3562-5942 Screening compound: 3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-4-one

3562-5942 Screening compound: 3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-4-one
3562-5942 Screening compound: 3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3562-5942
3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-4-one

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

3562-5942

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-{[(2E)-3-(2-methoxyphenyl)prop-2-en-1-yl]amino}-2-(345-trimethoxyphenyl)-34-dihydroquinazolin-4-one

SMILES

COc1c(/C=C/CNN(C(c(cc2OC)cc(OC)c2OC)=Nc2c3cccc2)C3=O)cccc1

InChI

InChI=1S/C27H27N3O5/c1-32-22-14-8-5-10-18(22)11-9-15-28-30-26(29-21-13-7-6-12-20(21)27(30)31)19-16-23(33-2)25(35-4)24(17-19)34-3/h5-14,16-17,28H,15H2,1-4H3

InChI Key

RCJCNRLDFILVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.588

Distribution Coefficient, logD

3.588

Water Solubility, LogSw

-3.91

Polar Surface Area

69.326

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3562-5942 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3562-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3562-5942?
Check Price and Availability of 3562-5942, 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 3562-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3562-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3562-5942
  • 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 3562-5942 available by request