3094-0001 Screening compound: ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate

3094-0001 Screening compound: ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate
3094-0001 Screening compound: ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3094-0001
ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate

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

3094-0001

Molecular Formula

C7H7F3N2O2 (C7 H7 F3 N2 O2)

Compound Name

ethyl (2Z)-3-amino-2-cyano-4,4,4-trifluorobut-2-enoate

IUPAC name

ethyl (2Z)-3-amino-2-cyano-444-trifluorobut-2-enoate

SMILES

CCOC(/C(/C#N)=C(/C(F)(F)F)\N)=O

InChI

InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4(3-11)5(12)7(8,9)10/h2,12H2,1H3

InChI Key

SCEQBAKZXBEXMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00622993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.141

Distribution Coefficient, logD

-0.791

Water Solubility, LogSw

-0.87

Polar Surface Area

59.461

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3094-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3094-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3094-0001?
Check Price and Availability of 3094-0001, 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 3094-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3094-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3094-0001
  • 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 3094-0001 available by request