5989-3311 Screening compound: ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

5989-3311 Screening compound: ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
5989-3311 Screening compound: ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3311
ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

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

5989-3311

Molecular Formula

C17H22F3NO5 (C17 H22 F3 NO5)

Compound Name

ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

ethyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-333-trifluoro-2-hydroxypropanoate

SMILES

CCN(C(OC(C)C)=O)c1ccc(C(C(F)(F)F)(C(OCC)=O)O)cc1

InChI

InChI=1S/C17H22F3NO5/c1-5-21(15(23)26-11(3)4)13-9-7-12(8-10-13)16(24,17(18,19)20)14(22)25-6-2/h7-11,24H,5-6H2,1-4H3/t16-/m1/s1

InChI Key

MZEDECOGRMFYTA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00371417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.45

Polar Surface Area

57.411

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 5989-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3311?
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What is the minimum amount of 5989-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3311
  • 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 5989-3311 available by request