4491-1051 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate

4491-1051 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate
4491-1051 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1051
3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate

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

4491-1051

Molecular Formula

C22H19F3O6 (C22 H19 F3 O6)

Compound Name

3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate

IUPAC name

3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 22-dimethylpropanoate

SMILES

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

InChI

InChI=1S/C22H19F3O6/c1-21(2,3)20(27)30-14-9-10-15-16(11-14)31-19(22(23,24)25)18(17(15)26)29-13-7-5-12(28-4)6-8-13/h5-11H,1-4H3

InChI Key

RXCXZJMUIDSLLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.27

Polar Surface Area

55.808

Acid Dissociation Constant (pKa)

30.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4491-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1051?
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What is the minimum amount of 4491-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1051
  • 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 4491-1051 available by request