8019-9678 Screening compound: (3E,5E)-3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one

8019-9678 Screening compound: (3E,5E)-3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one
8019-9678 Screening compound: (3E,5E)-3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9678
(3E,5E)-3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-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

8019-9678

Molecular Formula

C27H29NO9 (C27 H29 NO9)

Compound Name

(3E,5E)-3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one

IUPAC name

(3E5E)-35-bis[(47-dimethoxy-2H-13-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one

SMILES

CCN(C/C(/C1=O)=C\c(cc(c2c3OCO2)OC)c3OC)C/C1=C\c(cc(c1c2OCO1)OC)c2OC

InChI

InChI=1S/C27H29NO9/c1-6-28-11-17(7-15-9-19(30-2)24-26(22(15)32-4)36-13-34-24)21(29)18(12-28)8-16-10-20(31-3)25-27(23(16)33-5)37-14-35-25/h7-10H,6,11-14H2,1-5H3

InChI Key

SRJHGEMZXGIYLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.60

Polar Surface Area

80.101

Acid Dissociation Constant (pKa)

29.75

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with 8019-9678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9678?
Check Price and Availability of 8019-9678, 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 8019-9678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9678
  • 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 8019-9678 available by request