K025-0405 Screening compound: 3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-one

K025-0405 Screening compound: 3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-one
K025-0405 Screening compound: 3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K025-0405
3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-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

K025-0405

Molecular Formula

C25H17ClN2O3 (C25 H17 ClN2 O3)

Compound Name

3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-one

IUPAC name

3-(6-chloro-4-phenylquinazolin-2-yl)-8-ethoxy-2H-chromen-2-one

SMILES

CCOc1cccc(C=C2c3nc(-c4ccccc4)c(cc(cc4)Cl)c4n3)c1OC2=O

InChI

InChI=1S/C25H17ClN2O3/c1-2-30-21-10-6-9-16-13-19(25(29)31-23(16)21)24-27-20-12-11-17(26)14-18(20)22(28-24)15-7-4-3-5-8-15/h3-14H,2H2,1H3

InChI Key

BIZJOGMEBMSJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.097

Distribution Coefficient, logD

6.097

Water Solubility, LogSw

-6.12

Polar Surface Area

46.568

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K025-0405 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 K025-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K025-0405?
Check Price and Availability of K025-0405, 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 K025-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K025-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K025-0405
  • 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 K025-0405 available by request