D088-0050 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one

D088-0050 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one
D088-0050 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D088-0050
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-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

D088-0050

Molecular Formula

C25H29NO4 (C25 H29 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC1N(Cc(c(OC(C)=C2Oc3cc(C)cc(C)c3)c(cc3)C2=O)c3O)CCCC1

InChI

InChI=1S/C25H29NO4/c1-15-11-16(2)13-19(12-15)30-24-18(4)29-25-20(23(24)28)8-9-22(27)21(25)14-26-10-6-5-7-17(26)3/h8-9,11-13,17,27H,5-7,10,14H2,1-4H3/t17-/m0/s1

InChI Key

ZPWICQYHBDZVIL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08568042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.78

Polar Surface Area

47.078

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with D088-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D088-0050?
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What is the minimum amount of D088-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D088-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D088-0050
  • 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 D088-0050 available by request