3470-5574 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate

3470-5574 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate
3470-5574 Screening compound: 2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3470-5574
2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate

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

3470-5574

Molecular Formula

C23H14Br2N2O3 (C23 H14 Br2 N2 O3)

Compound Name

2-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl (2E)-3-(4-bromophenyl)prop-2-enoate

IUPAC name

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

SMILES

O=C(/C=C/c(cc1)ccc1Br)ON(C(c(cc1)ccc1Br)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C23H14Br2N2O3/c24-17-10-5-15(6-11-17)7-14-21(28)30-27-22(16-8-12-18(25)13-9-16)26-20-4-2-1-3-19(20)23(27)29/h1-14H

InChI Key

BXAAXIISNPHFRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.87

Polar Surface Area

47.656

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3470-5574 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 3470-5574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3470-5574?
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What is the minimum amount of 3470-5574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3470-5574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3470-5574
  • 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 3470-5574 available by request