3793-3426 Screening compound: 2-methylpropyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

3793-3426 Screening compound: 2-methylpropyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
3793-3426 Screening compound: 2-methylpropyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3426
2-methylpropyl 2-{[3-(3,4-dimethoxyphenyl)-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

3793-3426

Molecular Formula

C25H25F3O7 (C25 H25 F3 O7)

Compound Name

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

IUPAC name

2-methylpropyl 2-{[3-(34-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

SMILES

CC(C)COC(C(C)Oc(cc1)cc(OC(C(F)(F)F)=C2c(cc3)cc(OC)c3OC)c1C2=O)=O

InChI

InChI=1S/C25H25F3O7/c1-13(2)12-33-24(30)14(3)34-16-7-8-17-19(11-16)35-23(25(26,27)28)21(22(17)29)15-6-9-18(31-4)20(10-15)32-5/h6-11,13-14H,12H2,1-5H3/t14-/m0/s1

InChI Key

SZMLELLXFXTDIG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02356293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.46

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

4.964

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-4.65

Polar Surface Area

63.457

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 3793-3426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3426?
Check Price and Availability of 3793-3426, 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 3793-3426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3426
  • 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 3793-3426 available by request