3061-4558 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide

3061-4558 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide
3061-4558 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4558
(2E)-3-(4-bromophenyl)-N-[2-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]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

3061-4558

Molecular Formula

C24H18BrN3O3 (C24 H18 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N2NC(/C=C/c(cc3)ccc3Br)=O)=Nc(cccc3)c3C2=O)c1

InChI

InChI=1S/C24H18BrN3O3/c1-31-19-6-4-5-17(15-19)23-26-21-8-3-2-7-20(21)24(30)28(23)27-22(29)14-11-16-9-12-18(25)13-10-16/h2-15H,1H3,(H,27,29)

InChI Key

IQGHGSFRMAHKQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.33

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

4.393

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.45

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

4.20

3061-4558 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3061-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3061-4558?
Check Price and Availability of 3061-4558, 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 3061-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4558
  • 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 3061-4558 available by request