K505-0486 Screening compound: methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

K505-0486 Screening compound: methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate
K505-0486 Screening compound: methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0486
methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

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

K505-0486

Molecular Formula

C24H17BrN2O3 (C24 H17 BrN2 O3)

Compound Name

methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-3,4-dihydroquinazolin-3-yl}benzoate

IUPAC name

methyl 4-{2-[(1Z)-2-(3-bromophenyl)ethenyl]-4-oxo-34-dihydroquinazolin-3-yl}benzoate

SMILES

COC(c(cc1)ccc1N(C(/C=C\c1cccc(Br)c1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C24H17BrN2O3/c1-30-24(29)17-10-12-19(13-11-17)27-22(14-9-16-5-4-6-18(25)15-16)26-21-8-3-2-7-20(21)23(27)28/h2-15H,1H3

InChI Key

BXZVIARIZMKEAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01934133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.31

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

5.068

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.86

Polar Surface Area

45.768

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

K505-0486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K505-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0486?
Check Price and Availability of K505-0486, 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 K505-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0486
  • 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 K505-0486 available by request