K505-0245 Screening compound: 3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-3,4-dihydroquinazolin-4-one

K505-0245 Screening compound: 3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-3,4-dihydroquinazolin-4-one
K505-0245 Screening compound: 3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0245
3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-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

K505-0245

Molecular Formula

C21H14Br2N2OS (C21 H14 Br2 N2 OS)

Compound Name

3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-bromo-3-methylphenyl)-2-[(1E)-2-(5-bromothiophen-2-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

Cc(cc(cc1)N(C(/C=C/c(s2)ccc2Br)=Nc2c3cccc2)C3=O)c1Br

InChI

InChI=1S/C21H14Br2N2OS/c1-13-12-14(6-9-17(13)22)25-20(11-8-15-7-10-19(23)27-15)24-18-5-3-2-4-16(18)21(25)26/h2-12H,1H3

InChI Key

HCGOFOFVJDGPLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.806

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-5.55

Polar Surface Area

25.612

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K505-0245 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K505-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0245?
Check Price and Availability of K505-0245, 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 K505-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0245
  • 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 K505-0245 available by request