3992-3541 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxy-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one

3992-3541 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxy-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one
3992-3541 Screening compound: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxy-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-3541
8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxy-3-(naphthalen-2-yloxy)-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

3992-3541

Molecular Formula

C27H24F3NO5 (C27 H24 F3 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC1OC(C)CN(Cc(c(OC(C(F)(F)F)=C2Oc3cc4ccccc4cc3)c(cc3)C2=O)c3O)C1

InChI

InChI=1S/C27H24F3NO5/c1-15-12-31(13-16(2)34-15)14-21-22(32)10-9-20-23(33)25(26(27(28,29)30)36-24(20)21)35-19-8-7-17-5-3-4-6-18(17)11-19/h3-11,15-16,32H,12-14H2,1-2H3

InChI Key

NOFQVNLZFBUKGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02359895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.49

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

5.097

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-5.45

Polar Surface Area

54.241

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

3992-3541 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3992-3541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-3541?
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What is the minimum amount of 3992-3541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-3541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-3541
  • 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 3992-3541 available by request