Y040-0051 Screening compound: ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}propanoate

Y040-0051 Screening compound: ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}propanoate
Y040-0051 Screening compound: ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0051
ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}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

Y040-0051

Molecular Formula

C16H15F3O5 (C16 H15 F3 O5)

Compound Name

ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}propanoate

IUPAC name

ethyl 2-{[8-methyl-2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}propanoate

SMILES

CCOC(C(C)Oc(cc1)c(C)c(O2)c1C(C(F)(F)F)=CC2=O)=O

InChI

InChI=1S/C16H15F3O5/c1-4-22-15(21)9(3)23-12-6-5-10-11(16(17,18)19)7-13(20)24-14(10)8(12)2/h5-7,9H,4H2,1-3H3/t9-/m0/s1

InChI Key

ZVDLRXZQWFNBDM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03712852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.57

Polar Surface Area

47.959

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y040-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0051?
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What is the minimum amount of Y040-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0051
  • 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 Y040-0051 available by request