8018-6315 Screening compound: 1-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-propynyl]pyrrolidine

8018-6315 Screening compound: 1-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-propynyl]pyrrolidine
8018-6315 Screening compound: 1-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-propynyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6315
1-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-propynyl]pyrrolidine

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

8018-6315

Molecular Formula

C15H25NO (C15 H25 NO)

Compound Name

1-[3-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2-propynyl]pyrrolidine

IUPAC name

1-[3-(266-trimethyloxan-2-yl)prop-2-yn-1-yl]pyrrolidine

SMILES

CC(C)(CCC1)OC1(C)C#CCN1CCCC1

InChI

InChI=1S/C15H25NO/c1-14(2)8-6-9-15(3,17-14)10-7-13-16-11-4-5-12-16/h4-6,8-9,11-13H2,1-3H3/t15-/m0/s1

InChI Key

OHBXFAJTBJTMHD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07800990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.04

Polar Surface Area

10.362

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.67

8018-6315 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-6315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6315?
Check Price and Availability of 8018-6315, 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 8018-6315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6315
  • 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 8018-6315 available by request