5847-0234 Screening compound: 3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5847-0234 Screening compound: 3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5847-0234 Screening compound: 3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0234
3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-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

5847-0234

Molecular Formula

C25H28F3NO4 (C25 H28 F3 NO4)

Compound Name

3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(35-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCCN(CCC)Cc(c(OC(C(F)(F)F)=C1Oc2cc(C)cc(C)c2)c(cc2)C1=O)c2O

InChI

InChI=1S/C25H28F3NO4/c1-5-9-29(10-6-2)14-19-20(30)8-7-18-21(31)23(24(25(26,27)28)33-22(18)19)32-17-12-15(3)11-16(4)13-17/h7-8,11-13,30H,5-6,9-10,14H2,1-4H3

InChI Key

GCROPVKLPQWOSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.292

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.37

Polar Surface Area

47.787

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5847-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0234?
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What is the minimum amount of 5847-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0234
  • 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 5847-0234 available by request