E520-0062 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

E520-0062 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
E520-0062 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E520-0062
1,7,7-trimethyl-9-oxo-N~2~-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

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

E520-0062

Molecular Formula

C22H18F3NO4 (C22 H18 F3 NO4)

Compound Name

1,7,7-trimethyl-9-oxo-N~2~-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

IUPAC name

31111-trimethyl-13-oxo-N-[3-(trifluoromethyl)phenyl]-510-dioxatricyclo[7.4.0.0^{26}]trideca-1368-tetraene-4-carboxamide

SMILES

CC(C)(C1)Oc(ccc2c3c(C)c(C(Nc4cccc(C(F)(F)F)c4)=O)o2)c3C1=O

InChI

InChI=1S/C22H18F3NO4/c1-11-17-15(7-8-16-18(17)14(27)10-21(2,3)30-16)29-19(11)20(28)26-13-6-4-5-12(9-13)22(23,24)25/h4-9H,10H2,1-3H3,(H,26,28)

InChI Key

WLGIWOYOOWYPEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.101

Water Solubility, LogSw

-5.48

Polar Surface Area

51.436

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E520-0062 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 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 E520-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E520-0062?
Check Price and Availability of E520-0062, 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 E520-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E520-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E520-0062
  • 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 E520-0062 available by request