K505-0216 Screening compound: 3-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one

K505-0216 Screening compound: 3-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one
K505-0216 Screening compound: 3-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K505-0216
3-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1E)-2-(2,4,5-trimethoxyphenyl)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

K505-0216

Molecular Formula

C29H30N2O7 (C29 H30 N2 O7)

Compound Name

3-(4-ethoxyphenyl)-6,7-dimethoxy-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-ethoxyphenyl)-67-dimethoxy-2-[(1E)-2-(245-trimethoxyphenyl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

CCOc(cc1)ccc1N(C(/C=C/c(cc(c(OC)c1)OC)c1OC)=Nc(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C29H30N2O7/c1-7-38-20-11-9-19(10-12-20)31-28(13-8-18-14-24(34-3)27(37-6)17-23(18)33-2)30-22-16-26(36-5)25(35-4)15-21(22)29(31)32/h8-17H,7H2,1-6H3

InChI Key

ONAALECNOCBZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.24

Polar Surface Area

69.870

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K505-0216 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K505-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K505-0216?
Check Price and Availability of K505-0216, 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 K505-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K505-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K505-0216
  • 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 K505-0216 available by request