6228-2111 Screening compound: 5-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide

6228-2111 Screening compound: 5-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
6228-2111 Screening compound: 5-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2111
5-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-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

6228-2111

Molecular Formula

C17H18F3NO6 (C17 H18 F3 NO6)

Compound Name

5-[(2,2,2-trifluoroethoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide

IUPAC name

5-[(222-trifluoroethoxy)methyl]-N-(345-trimethoxyphenyl)furan-2-carboxamide

SMILES

COc1cc(NC(c2ccc(COCC(F)(F)F)o2)=O)cc(OC)c1OC

InChI

InChI=1S/C17H18F3NO6/c1-23-13-6-10(7-14(24-2)15(13)25-3)21-16(22)12-5-4-11(27-12)8-26-9-17(18,19)20/h4-7H,8-9H2,1-3H3,(H,21,22)

InChI Key

MIFUEVYWTNLPSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02371306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.35

Polar Surface Area

62.583

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

6228-2111 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6228-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2111?
Check Price and Availability of 6228-2111, 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 6228-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2111
  • 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 6228-2111 available by request