6649-0942 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6649-0942 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6649-0942 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0942
3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-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

6649-0942

Molecular Formula

C24H25F3N2O4 (C24 H25 F3 N2 O4)

Compound Name

3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(4-ethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCc(cc1)ccc1OC1=C(C(F)(F)F)Oc(c(CN2CCN(C)CC2)c(cc2)O)c2C1=O

InChI

InChI=1S/C24H25F3N2O4/c1-3-15-4-6-16(7-5-15)32-22-20(31)17-8-9-19(30)18(14-29-12-10-28(2)11-13-29)21(17)33-23(22)24(25,26)27/h4-9,30H,3,10-14H2,1-2H3

InChI Key

UVKJAVYVYCSOOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.98

Polar Surface Area

51.056

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6649-0942 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6649-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0942?
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What is the minimum amount of 6649-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0942
  • 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 6649-0942 available by request