5989-3304 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate

5989-3304 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate
5989-3304 Screening compound: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3304
ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate

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

5989-3304

Molecular Formula

C14H16F3NO4 (C14 H16 F3 NO4)

Compound Name

ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate

IUPAC name

ethyl 333-trifluoro-2-hydroxy-2-[4-(N-methylacetamido)phenyl]propanoate

SMILES

CCOC(C(C(F)(F)F)(c(cc1)ccc1N(C)C(C)=O)O)=O

InChI

InChI=1S/C14H16F3NO4/c1-4-22-12(20)13(21,14(15,16)17)10-5-7-11(8-6-10)18(3)9(2)19/h5-8,21H,4H2,1-3H3/t13-/m1/s1

InChI Key

VROVDFRZAZCLKT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00401581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-1.86

Polar Surface Area

52.169

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 5989-3304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3304?
Check Price and Availability of 5989-3304, 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 5989-3304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3304
  • 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 5989-3304 available by request