4300-0325 Screening compound: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

4300-0325 Screening compound: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
4300-0325 Screening compound: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0325
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(2-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

4300-0325

Molecular Formula

C25H26F3NO5 (C25 H26 F3 NO5)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CC1N(Cc(c(OC(C(F)(F)F)=C2c(cc3)cc(OC)c3OC)c(cc3)C2=O)c3O)CCCC1

InChI

InChI=1S/C25H26F3NO5/c1-14-6-4-5-11-29(14)13-17-18(30)9-8-16-22(31)21(24(25(26,27)28)34-23(16)17)15-7-10-19(32-2)20(12-15)33-3/h7-10,12,14,30H,4-6,11,13H2,1-3H3/t14-/m0/s1

InChI Key

CCNHMLGJOMBNLK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02166888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-4.21

Polar Surface Area

54.954

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4300-0325 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4300-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0325?
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What is the minimum amount of 4300-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0325
  • 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 4300-0325 available by request