0964-0042 Screening compound: 2-octylpyridin-1-ium-1-olate

0964-0042 Screening compound: 2-octylpyridin-1-ium-1-olate
0964-0042 Screening compound: 2-octylpyridin-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0964-0042
2-octylpyridin-1-ium-1-olate

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

0964-0042

Molecular Formula

C13H21NO (C13 H21 NO)

Compound Name

2-octylpyridin-1-ium-1-olate

IUPAC name

2-octylpyridin-1-ium-1-olate

SMILES

CCCCCCCCc(cccc1)[n+]1[O-]

InChI

InChI=1S/C13H21NO/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12H,2-7,10H2,1H3

InChI Key

KVXGKMCCQSZNLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00235120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.35

Polar Surface Area

18.732

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

0964-0042 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0964-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0964-0042?
Check Price and Availability of 0964-0042, 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 0964-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0964-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0964-0042
  • 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 0964-0042 available by request