5976-2387 Screening compound: 2-methylpropyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-chromen-7-yl]oxy}acetate

5976-2387 Screening compound: 2-methylpropyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-chromen-7-yl]oxy}acetate
5976-2387 Screening compound: 2-methylpropyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5976-2387
2-methylpropyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-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

5976-2387

Molecular Formula

C24H26O6 (C24 H26 O6)

Compound Name

2-methylpropyl 2-{[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-chromen-7-yl]oxy}acetate

IUPAC name

2-methylpropyl 2-{[4-oxo-3-(235-trimethylphenoxy)-4H-chromen-7-yl]oxy}acetate

SMILES

CC(C)COC(COc(cc1)cc(OC=C2Oc3c(C)c(C)cc(C)c3)c1C2=O)=O

InChI

InChI=1S/C24H26O6/c1-14(2)11-29-23(25)13-27-18-6-7-19-21(10-18)28-12-22(24(19)26)30-20-9-15(3)8-16(4)17(20)5/h6-10,12,14H,11,13H2,1-5H3

InChI Key

IITQHKYNIALIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.347

Water Solubility, LogSw

-5.44

Polar Surface Area

55.690

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5976-2387 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5976-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5976-2387?
Check Price and Availability of 5976-2387, 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 5976-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5976-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5976-2387
  • 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 5976-2387 available by request