3793-3247 Screening compound: 2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

3793-3247 Screening compound: 2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
3793-3247 Screening compound: 2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3247
2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-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

3793-3247

Molecular Formula

C24H23F3O7 (C24 H23 F3 O7)

Compound Name

2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

IUPAC name

2-methylpropyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

SMILES

CC(C)COC(C(C)Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C24H23F3O7/c1-13(2)12-31-23(29)14(3)32-17-9-10-18-19(11-17)34-22(24(25,26)27)21(20(18)28)33-16-7-5-15(30-4)6-8-16/h5-11,13-14H,12H2,1-4H3/t14-/m0/s1

InChI Key

VGOSUQABNNBIEF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02356115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.50

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3793-3247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3247?
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What is the minimum amount of 3793-3247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3247
  • 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 3793-3247 available by request