3793-3116 Screening compound: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

3793-3116 Screening compound: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
3793-3116 Screening compound: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3116
7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperidin-1-yl)methyl]-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

3793-3116

Molecular Formula

C24H24F3NO4 (C24 H24 F3 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(Cc(c(OC(C(F)(F)F)=C2Oc3cc(C)ccc3)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C24H24F3NO4/c1-14-8-10-28(11-9-14)13-18-19(29)7-6-17-20(30)22(23(24(25,26)27)32-21(17)18)31-16-5-3-4-15(2)12-16/h3-7,12,14,29H,8-11,13H2,1-2H3

InChI Key

HCHHQTIBQNVNLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02355997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

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

5.498

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-5.26

Polar Surface Area

47.580

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3793-3116 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3793-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3116?
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What is the minimum amount of 3793-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3116
  • 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 3793-3116 available by request