4300-0463 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

4300-0463 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
4300-0463 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0463
8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

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

4300-0463

Molecular Formula

C25H26F3NO5 (C25 H26 F3 NO5)

Compound Name

8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-[(26-dimethylmorpholin-4-yl)methyl]-3-(35-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CC1OC(C)CN(Cc(c(OC(C(F)(F)F)=C2Oc3cc(C)cc(C)c3)c(cc3)C2=O)c3O)C1

InChI

InChI=1S/C25H26F3NO5/c1-13-7-14(2)9-17(8-13)33-23-21(31)18-5-6-20(30)19(22(18)34-24(23)25(26,27)28)12-29-10-15(3)32-16(4)11-29/h5-9,15-16,30H,10-12H2,1-4H3

InChI Key

KHYYQDGXOOPVAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.36

Polar Surface Area

54.512

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

4300-0463 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4300-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0463?
Check Price and Availability of 4300-0463, 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 4300-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0463
  • 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 4300-0463 available by request