8020-0007 Screening compound: 2-(3,4-diethoxyphenyl)-4,4,4-trifluoro-3-oxobutanenitrile

8020-0007 Screening compound: 2-(3,4-diethoxyphenyl)-4,4,4-trifluoro-3-oxobutanenitrile
8020-0007 Screening compound: 2-(3,4-diethoxyphenyl)-4,4,4-trifluoro-3-oxobutanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0007
2-(3,4-diethoxyphenyl)-4,4,4-trifluoro-3-oxobutanenitrile

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

8020-0007

Molecular Formula

C14H14F3NO3 (C14 H14 F3 NO3)

Compound Name

2-(3,4-diethoxyphenyl)-4,4,4-trifluoro-3-oxobutanenitrile

IUPAC name

2-(34-diethoxyphenyl)-444-trifluoro-3-oxobutanenitrile

SMILES

CCOc(ccc(C(C(C(F)(F)F)=O)C#N)c1)c1OCC

InChI

InChI=1S/C14H14F3NO3/c1-3-20-11-6-5-9(7-12(11)21-4-2)10(8-18)13(19)14(15,16)17/h5-7,10H,3-4H2,1-2H3/t10-/m1/s1

InChI Key

GJXBOCUIFJXODA-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD10037582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-2.77

Polar Surface Area

45.454

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8020-0007 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others
  • Others

References: we are preparing a list of scientific research reports with 8020-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0007?
Check Price and Availability of 8020-0007, 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 8020-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0007
  • 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 8020-0007 available by request