8006-8554 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

8006-8554 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
8006-8554 Screening compound: ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8554
ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

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

8006-8554

Molecular Formula

C17H15F3N2O3 (C17 H15 F3 N2 O3)

Compound Name

ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-5-cyano-2-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c2cccc(C(F)(F)F)c2)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C17H15F3N2O3/c1-3-24-16(23)13-9(2)25-15(22)12(8-21)14(13)10-5-4-6-11(7-10)17(18,19)20/h4-7,14H,3,22H2,1-2H3/t14-/m1/s1

InChI Key

MCJJHCBDYSFOHI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00827039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.32

Polar Surface Area

67.446

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 8006-8554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8554?
Check Price and Availability of 8006-8554, 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 8006-8554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8554
  • 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 8006-8554 available by request