5847-0016 Screening compound: 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide

5847-0016 Screening compound: 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide
5847-0016 Screening compound: 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0016
2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide

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

5847-0016

Molecular Formula

C25H26ClNO5 (C25 H26 ClNO5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OC2=COc(cc(cc3)OCC(NC4CCCCC4)=O)c3C2=O)cc(C)c1Cl

InChI

InChI=1S/C25H26ClNO5/c1-15-10-19(11-16(2)24(15)26)32-22-13-31-21-12-18(8-9-20(21)25(22)29)30-14-23(28)27-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,27,28)

InChI Key

LSRNFYSMPULFCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.87

Polar Surface Area

58.994

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

5847-0016 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5847-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0016?
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What is the minimum amount of 5847-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0016
  • 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 5847-0016 available by request