3793-3261 Screening compound: butyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

3793-3261 Screening compound: butyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
3793-3261 Screening compound: butyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3261
butyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

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

3793-3261

Molecular Formula

C23H21F3O7 (C23 H21 F3 O7)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(COc(cc1)cc(OC(C(F)(F)F)=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C23H21F3O7/c1-3-4-11-30-19(27)13-31-16-9-10-17-18(12-16)33-22(23(24,25)26)21(20(17)28)32-15-7-5-14(29-2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3

InChI Key

LBEOTHHBBBNLKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.80

Polar Surface Area

63.111

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 3793-3261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3261?
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What is the minimum amount of 3793-3261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3261
  • 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 3793-3261 available by request