6647-2051 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

6647-2051 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
6647-2051 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6647-2051
8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-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

6647-2051

Molecular Formula

C28H26F3NO4 (C28 H26 F3 NO4)

Compound Name

8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-{[benzyl(ethyl)amino]methyl}-3-(25-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCN(Cc1ccccc1)Cc(c(OC(C(F)(F)F)=C1Oc2c(C)ccc(C)c2)c(cc2)C1=O)c2O

InChI

InChI=1S/C28H26F3NO4/c1-4-32(15-19-8-6-5-7-9-19)16-21-22(33)13-12-20-24(34)26(27(28(29,30)31)36-25(20)21)35-23-14-17(2)10-11-18(23)3/h5-14,33H,4,15-16H2,1-3H3

InChI Key

AEMXFGUCIBWUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04990849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.646

Distribution Coefficient, logD

6.255

Water Solubility, LogSw

-5.51

Polar Surface Area

47.370

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6647-2051 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6647-2051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6647-2051?
Check Price and Availability of 6647-2051, 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 6647-2051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6647-2051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6647-2051
  • 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 6647-2051 available by request