6623-2106 Screening compound: ethyl (2E)-2-acetyl-3-amino-4,4,4-trifluorobut-2-enoate

6623-2106 Screening compound: ethyl (2E)-2-acetyl-3-amino-4,4,4-trifluorobut-2-enoate
6623-2106 Screening compound: ethyl (2E)-2-acetyl-3-amino-4,4,4-trifluorobut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-2106
ethyl (2E)-2-acetyl-3-amino-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

6623-2106

Molecular Formula

C8H10F3NO3 (C8 H10 F3 NO3)

Compound Name

ethyl (2E)-2-acetyl-3-amino-4,4,4-trifluorobut-2-enoate

IUPAC name

ethyl (2E)-2-acetyl-3-amino-444-trifluorobut-2-enoate

SMILES

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

InChI

InChI=1S/C8H10F3NO3/c1-3-15-7(14)5(4(2)13)6(12)8(9,10)11/h3,12H2,1-2H3

InChI Key

SFABRBCYMUWHHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00810200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.046

Distribution Coefficient, logD

-1.310

Water Solubility, LogSw

-0.62

Polar Surface Area

56.232

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6623-2106 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 6623-2106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-2106?
Check Price and Availability of 6623-2106, 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 6623-2106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-2106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-2106
  • 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 6623-2106 available by request