6197-0131 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6197-0131 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6197-0131 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-0131
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-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

6197-0131

Molecular Formula

C24H24ClF3N2O4 (C24 H24 ClF3 N2 O4)

Compound Name

3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(4-chloro-35-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Cc1cc(OC2=C(C(F)(F)F)Oc(c(CN3CCN(C)CC3)c(cc3)O)c3C2=O)cc(C)c1Cl

InChI

InChI=1S/C24H24ClF3N2O4/c1-13-10-15(11-14(2)19(13)25)33-22-20(32)16-4-5-18(31)17(12-30-8-6-29(3)7-9-30)21(16)34-23(22)24(26,27)28/h4-5,10-11,31H,6-9,12H2,1-3H3

InChI Key

NDDUOPIFEWMXSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04990858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.91

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

5.039

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.63

Polar Surface Area

51.056

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

6197-0131 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 6197-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-0131?
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What is the minimum amount of 6197-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-0131
  • 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 6197-0131 available by request