3690-1793 Screening compound: 3-cyclohexylpropyl 2-(1-pyrrolidinyl)acetate

3690-1793 Screening compound: 3-cyclohexylpropyl 2-(1-pyrrolidinyl)acetate
3690-1793 Screening compound: 3-cyclohexylpropyl 2-(1-pyrrolidinyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3690-1793
3-cyclohexylpropyl 2-(1-pyrrolidinyl)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

3690-1793

Molecular Formula

C15H27NO2 (C15 H27 NO2)

Compound Name

3-cyclohexylpropyl 2-(1-pyrrolidinyl)acetate

IUPAC name

3-cyclohexylpropyl 2-(pyrrolidin-1-yl)acetate

SMILES

O=C(CN1CCCC1)OCCCC1CCCCC1

InChI

InChI=1S/C15H27NO2/c17-15(13-16-10-4-5-11-16)18-12-6-9-14-7-2-1-3-8-14/h14H,1-13H2

InChI Key

YMKCNGIBEDREGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-3.13

Polar Surface Area

24.982

Acid Dissociation Constant (pKa)

24.38

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

93.33

3690-1793 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3690-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3690-1793?
Check Price and Availability of 3690-1793, 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 3690-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3690-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3690-1793
  • 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 3690-1793 available by request