V028-1036 Screening compound: 2-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate

V028-1036 Screening compound: 2-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate
V028-1036 Screening compound: 2-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1036
2-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate

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

V028-1036

Molecular Formula

C18H23NO5 (C18 H23 NO5)

Compound Name

2-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate

IUPAC name

2-{4-[2-(2H-13-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-oxoethyl acetate

SMILES

CC(OCC(N1CCC(CCc(cc2)cc3c2OCO3)CC1)=O)=O

InChI

InChI=1S/C18H23NO5/c1-13(20)22-11-18(21)19-8-6-14(7-9-19)2-3-15-4-5-16-17(10-15)24-12-23-16/h4-5,10,14H,2-3,6-9,11-12H2,1H3

InChI Key

UAACNPQGJDCLPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.51

Polar Surface Area

54.706

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

V028-1036 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1036?
Check Price and Availability of V028-1036, 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 V028-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1036
  • 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 V028-1036 available by request