3470-5576 Screening compound: 4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl (E)-3-(4-bromophenyl)-2-propenoate

3470-5576 Screening compound: 4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl (E)-3-(4-bromophenyl)-2-propenoate
3470-5576 Screening compound: 4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl (E)-3-(4-bromophenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3470-5576
4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl (E)-3-(4-bromophenyl)-2-propenoate

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

3470-5576

Molecular Formula

C26H21BrN2O6 (C26 H21 BrN2 O6)

Compound Name

4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolinyl (E)-3-(4-bromophenyl)-2-propenoate

IUPAC name

4-oxo-2-(345-trimethoxyphenyl)-34-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate

SMILES

COc1cc(C(N2OC(/C=C/c(cc3)ccc3Br)=O)=Nc(cccc3)c3C2=O)cc(OC)c1OC

InChI

InChI=1S/C26H21BrN2O6/c1-32-21-14-17(15-22(33-2)24(21)34-3)25-28-20-7-5-4-6-19(20)26(31)29(25)35-23(30)13-10-16-8-11-18(27)12-9-16/h4-15H,1-3H3

InChI Key

KPWQWHYUAMWBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.313

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.50

Polar Surface Area

70.634

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.54

3470-5576 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 3470-5576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3470-5576?
Check Price and Availability of 3470-5576, 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 3470-5576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3470-5576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3470-5576
  • 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 3470-5576 available by request