K815-0180 Screening compound: 3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

K815-0180 Screening compound: 3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
K815-0180 Screening compound: 3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K815-0180
3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-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

K815-0180

Molecular Formula

C25H14BrFO6 (C25 H14 BrFO6)

Compound Name

3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

IUPAC name

3-[(3-bromo-4-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

SMILES

OC(c(cccc1)c1O1)=C(C(c(cc2)cc(Br)c2F)C(C(Oc2c3cccc2)=O)=C3O)C1=O

InChI

InChI=1S/C25H14BrFO6/c26-15-11-12(9-10-16(15)27)19(20-22(28)13-5-1-3-7-17(13)32-24(20)30)21-23(29)14-6-2-4-8-18(14)33-25(21)31/h1-11,19,28-29H

InChI Key

CVXQYWWMHOGMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04966639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

0.958

Water Solubility, LogSw

-4.04

Polar Surface Area

71.681

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

K815-0180 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K815-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K815-0180?
Check Price and Availability of K815-0180, 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 K815-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K815-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K815-0180
  • 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 K815-0180 available by request