5848-4218 Screening compound: cyclohexyl 2-{[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

5848-4218 Screening compound: cyclohexyl 2-{[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
5848-4218 Screening compound: cyclohexyl 2-{[3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-4218
cyclohexyl 2-{[3-(4-ethylphenoxy)-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

5848-4218

Molecular Formula

C26H25F3O6 (C26 H25 F3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1OC1=C(C(F)(F)F)Oc(cc(cc2)OCC(OC3CCCCC3)=O)c2C1=O

InChI

InChI=1S/C26H25F3O6/c1-2-16-8-10-18(11-9-16)34-24-23(31)20-13-12-19(14-21(20)35-25(24)26(27,28)29)32-15-22(30)33-17-6-4-3-5-7-17/h8-14,17H,2-7,15H2,1H3

InChI Key

BSSYZAGOVLLMAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.297

Distribution Coefficient, logD

6.297

Water Solubility, LogSw

-5.45

Polar Surface Area

54.603

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

5848-4218 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5848-4218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-4218?
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What is the minimum amount of 5848-4218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-4218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-4218
  • 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 5848-4218 available by request