3690-0355 Screening compound: (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)acetate

3690-0355 Screening compound: (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)acetate
3690-0355 Screening compound: (2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-0355
(2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)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

3690-0355

Molecular Formula

C17H29NO2 (C17 H29 NO2)

Compound Name

(2,4,6-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)acetate

IUPAC name

(246-trimethylcyclohex-3-en-1-yl)methyl 2-(piperidin-1-yl)acetate

SMILES

CC1C(COC(CN2CCCCC2)=O)C(C)C=C(C)C1

InChI

InChI=1S/C17H29NO2/c1-13-9-14(2)16(15(3)10-13)12-20-17(19)11-18-7-5-4-6-8-18/h9,14-16H,4-8,10-12H2,1-3H3

InChI Key

UUJZAPVGHSXVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01025687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-3.39

Polar Surface Area

24.697

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

82.40

3690-0355 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3690-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-0355?
Check Price and Availability of 3690-0355, 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 3690-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-0355
  • 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 3690-0355 available by request