8018-8311 Screening compound: 1,3,3-trimethyl-6-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane

8018-8311 Screening compound: 1,3,3-trimethyl-6-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane
8018-8311 Screening compound: 1,3,3-trimethyl-6-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8311
1,3,3-trimethyl-6-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane

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

8018-8311

Molecular Formula

C21H35NO (C21 H35 NO)

Compound Name

1,3,3-trimethyl-6-[3-(2,6,6-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane

IUPAC name

133-trimethyl-6-[3-(266-trimethyloxan-2-yl)prop-2-yn-1-yl]-6-azabicyclo[3.2.1]octane

SMILES

CC1(C2)CC(C)(C)CC2N(CC#CC2(C)OC(C)(C)CCC2)C1

InChI

InChI=1S/C21H35NO/c1-18(2)13-17-14-20(5,15-18)16-22(17)12-8-11-21(6)10-7-9-19(3,4)23-21/h17H,7,9-10,12-16H2,1-6H3

InChI Key

KTCNDAUIRVPASO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09266508

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

317.52

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

4.584

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.50

Polar Surface Area

9.847

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

90.50

8018-8311 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-8311 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-8311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8311
  • 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 8018-8311 available by request