5989-0330 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylamino)phenyl]propanoate

5989-0330 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylamino)phenyl]propanoate
5989-0330 Screening compound: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylamino)phenyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-0330
methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylamino)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

5989-0330

Molecular Formula

C11H12F3NO3 (C11 H12 F3 NO3)

Compound Name

methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylamino)phenyl]propanoate

IUPAC name

methyl 333-trifluoro-2-hydroxy-2-[4-(methylamino)phenyl]propanoate

SMILES

CNc1ccc(C(C(F)(F)F)(C(OC)=O)O)cc1

InChI

InChI=1S/C11H12F3NO3/c1-15-8-5-3-7(4-6-8)10(17,9(16)18-2)11(12,13)14/h3-6,15,17H,1-2H3/t10-/m1/s1

InChI Key

JBWLRILGMBHDCE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD00445993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.22

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

1.716

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-1.97

Polar Surface Area

47.137

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 5989-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-0330?
Check Price and Availability of 5989-0330, 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 5989-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-0330
  • 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 5989-0330 available by request