D088-0160 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-chromen-4-one

D088-0160 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-chromen-4-one
D088-0160 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D088-0160
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]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

D088-0160

Molecular Formula

C26H32N2O4 (C26 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OC2=C(C)Oc(c(CN(C)C3CCN(C)CC3)c(cc3)O)c3C2=O)cc(C)c1

InChI

InChI=1S/C26H32N2O4/c1-16-12-17(2)14-20(13-16)32-25-18(3)31-26-21(24(25)30)6-7-23(29)22(26)15-28(5)19-8-10-27(4)11-9-19/h6-7,12-14,19,29H,8-11,15H2,1-5H3

InChI Key

RYSMRDXTZKSFEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

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

4.172

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-4.00

Polar Surface Area

50.159

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

D088-0160 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D088-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D088-0160?
Check Price and Availability of D088-0160, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D088-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D088-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D088-0160
  • 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 D088-0160 available by request