4593-1646 Screening compound: cyclohexyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

4593-1646 Screening compound: cyclohexyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
4593-1646 Screening compound: cyclohexyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1646
cyclohexyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-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

4593-1646

Molecular Formula

C25H25ClO6 (C25 H25 ClO6)

Compound Name

cyclohexyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

cyclohexyl 2-{[3-(4-chloro-35-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

Cc1cc(OC2=COc(cc(cc3)OCC(OC4CCCCC4)=O)c3C2=O)cc(C)c1Cl

InChI

InChI=1S/C25H25ClO6/c1-15-10-19(11-16(2)24(15)26)31-22-13-30-21-12-18(8-9-20(21)25(22)28)29-14-23(27)32-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3

InChI Key

KSJUPLKUNOVFHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02957728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.92

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

5.836

Distribution Coefficient, logD

5.836

Water Solubility, LogSw

-6.12

Polar Surface Area

54.558

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 4593-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1646?
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What is the minimum amount of 4593-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1646
  • 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 4593-1646 available by request