5847-0232 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5847-0232 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5847-0232 Screening compound: 8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0232
8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-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

5847-0232

Molecular Formula

C28H26F3NO4 (C28 H26 F3 NO4)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OC1=C(C(F)(F)F)Oc(c(CN(CC)Cc2ccccc2)c(cc2)O)c2C1=O

InChI

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

InChI Key

KDHNBSFVRHNXBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786383

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.718

Distribution Coefficient, logD

6.328

Water Solubility, LogSw

-5.58

Polar Surface Area

47.284

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5847-0232 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 5847-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0232?
Check Price and Availability of 5847-0232, 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 5847-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0232
  • 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 5847-0232 available by request