2011-0006 Screening compound: 4-methyl-1,1-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol

2011-0006 Screening compound: 4-methyl-1,1-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol
2011-0006 Screening compound: 4-methyl-1,1-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2011-0006
4-methyl-1,1-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol

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

2011-0006

Molecular Formula

C23H27NO (C23 H27 NO)

Compound Name

4-methyl-1,1-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol

IUPAC name

4-methyl-11-diphenyl-4-(piperidin-1-yl)pent-2-yn-1-ol

SMILES

CC(C)(C#CC(c1ccccc1)(c1ccccc1)O)N1CCCCC1

InChI

InChI=1S/C23H27NO/c1-22(2,24-18-10-5-11-19-24)16-17-23(25,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,25H,5,10-11,18-19H2,1-2H3

InChI Key

QSCFTSNMHZWOCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01550355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.39

Polar Surface Area

19.235

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

2011-0006 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 2011-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2011-0006?
Check Price and Availability of 2011-0006, 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 2011-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2011-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2011-0006
  • 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 2011-0006 available by request