6649-0958 Screening compound: 7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one

6649-0958 Screening compound: 7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one
6649-0958 Screening compound: 7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0958
7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-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

6649-0958

Molecular Formula

C27H24F3NO4 (C27 H24 F3 NO4)

Compound Name

7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-3-(naphthalen-2-yloxy)-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CC1CN(Cc(c(OC(C(F)(F)F)=C2Oc3cc4ccccc4cc3)c(cc3)C2=O)c3O)CCC1

InChI

InChI=1S/C27H24F3NO4/c1-16-5-4-12-31(14-16)15-21-22(32)11-10-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-9-8-17-6-2-3-7-18(17)13-19/h2-3,6-11,13,16,32H,4-5,12,14-15H2,1H3/t16-/m0/s1

InChI Key

JRPXNIDXGJKPNC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03620009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.068

Distribution Coefficient, logD

5.156

Water Solubility, LogSw

-6.25

Polar Surface Area

47.242

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

6649-0958 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)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6649-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0958?
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What is the minimum amount of 6649-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0958
  • 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 6649-0958 available by request