3230-2861 Screening compound: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

3230-2861 Screening compound: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
3230-2861 Screening compound: 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3230-2861
7-hydroxy-3-(2-methoxyphenyl)-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

3230-2861

Molecular Formula

C23H23F3N2O4 (C23 H23 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CN1CCN(Cc(c(OC(C(F)(F)F)=C2c(cccc3)c3OC)c(cc3)C2=O)c3O)CC1

InChI

InChI=1S/C23H23F3N2O4/c1-27-9-11-28(12-10-27)13-16-17(29)8-7-15-20(30)19(14-5-3-4-6-18(14)31-2)22(23(24,25)26)32-21(15)16/h3-8,29H,9-13H2,1-2H3

InChI Key

JIPZEFKYKRLIMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

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

3.245

Distribution Coefficient, logD

2.446

Water Solubility, LogSw

-3.56

Polar Surface Area

51.350

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 3230-2861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3230-2861?
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What is the minimum amount of 3230-2861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3230-2861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3230-2861
  • 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 3230-2861 available by request