Y500-9840 Screening compound: methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

Y500-9840 Screening compound: methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
Y500-9840 Screening compound: methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-9840
methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

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

Y500-9840

Molecular Formula

C14H10F9NO4 (C14 H10 F9 NO4)

Compound Name

methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

IUPAC name

methyl 3-{[35-bis(trifluoromethyl)phenyl]carbamoyl}-2-hydroxy-2-(trifluoromethyl)propanoate

SMILES

COC(C(CC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O)(C(F)(F)F)O)=O

InChI

InChI=1S/C14H10F9NO4/c1-28-10(26)11(27,14(21,22)23)5-9(25)24-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-4,27H,5H2,1H3,(H,24,25)/t11-/m1/s1

InChI Key

FNQUQVAQINANAR-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.98

Polar Surface Area

60.097

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with Y500-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-9840?
Check Price and Availability of Y500-9840, 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 Y500-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-9840
  • 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 Y500-9840 available by request