5989-3697 Screening compound: methyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate

5989-3697 Screening compound: methyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
5989-3697 Screening compound: methyl 2-(4-{ethyl[(propan-2-yloxy)carbonyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3697
methyl 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

5989-3697

Molecular Formula

C16H20F3NO5 (C16 H20 F3 NO5)

Compound Name

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

IUPAC name

methyl 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(OC)=O)O)cc1

InChI

InChI=1S/C16H20F3NO5/c1-5-20(14(22)25-10(2)3)12-8-6-11(7-9-12)15(23,13(21)24-4)16(17,18)19/h6-10,23H,5H2,1-4H3/t15-/m1/s1

InChI Key

ADVQUVOMBZIUET-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00381703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-3.11

Polar Surface Area

57.831

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5989-3697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3697?
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What is the minimum amount of 5989-3697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3697
  • 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 5989-3697 available by request