0173-0027 Screening compound: 4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium

0173-0027 Screening compound: 4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium
0173-0027 Screening compound: 4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0173-0027
4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium

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

0173-0027

Molecular Formula

C12H19N2O (C12 H19 N2 O)

Compound Name

4-carbamoyl-1-(3,3-dimethylbutyl)pyridin-1-ium

IUPAC name

4-carbamoyl-1-(33-dimethylbutyl)pyridin-1-ium

SMILES

CC(C)(C)CC[n+](cc1)ccc1C(N)=O

InChI

InChI=1S/C12H18N2O/c1-12(2,3)6-9-14-7-4-10(5-8-14)11(13)15/h4-5,7-8H,6,9H2,1-3H3,(H-,13,15)/p+1

InChI Key

PSYSGYLLZMXINY-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00804818

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

207.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-1.79

Polar Surface Area

37.340

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 0173-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0173-0027?
Check Price and Availability of 0173-0027, 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 0173-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0173-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0173-0027
  • 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 0173-0027 available by request