6197-0124 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

6197-0124 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
6197-0124 Screening compound: 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-0124
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-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

6197-0124

Molecular Formula

C25H25ClF3NO4 (C25 H25 ClF3 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(Cc(c(OC(C(F)(F)F)=C2Oc(cc3C)cc(C)c3Cl)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C25H25ClF3NO4/c1-13-6-8-30(9-7-13)12-18-19(31)5-4-17-21(32)23(24(25(27,28)29)34-22(17)18)33-16-10-14(2)20(26)15(3)11-16/h4-5,10-11,13,31H,6-9,12H2,1-3H3

InChI Key

YPTCMRFQMAJHPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04990855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.93

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

6.623

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-5.89

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

40.00

References: we are preparing a list of scientific research reports with 6197-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-0124?
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What is the minimum amount of 6197-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-0124
  • 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 6197-0124 available by request