5847-0007 Screening compound: 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide

5847-0007 Screening compound: 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide
5847-0007 Screening compound: 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0007
2-{[3-(4-tert-butylphenoxy)-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

5847-0007

Molecular Formula

C27H31NO5 (C27 H31 NO5)

Compound Name

2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide

IUPAC name

2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}-N-cyclohexylacetamide

SMILES

CC(C)(C)c(cc1)ccc1OC1=COc(cc(cc2)OCC(NC3CCCCC3)=O)c2C1=O

InChI

InChI=1S/C27H31NO5/c1-27(2,3)18-9-11-20(12-10-18)33-24-16-32-23-15-21(13-14-22(23)26(24)30)31-17-25(29)28-19-7-5-4-6-8-19/h9-16,19H,4-8,17H2,1-3H3,(H,28,29)

InChI Key

OMHNTYBEMHKRJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.43

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

40.70

5847-0007 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5847-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0007?
Check Price and Availability of 5847-0007, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5847-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0007
  • 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 5847-0007 available by request