0134-0066 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

0134-0066 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium
0134-0066 Screening compound: 1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0134-0066
1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]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

0134-0066

Molecular Formula

C12H18N3O2 (C12 H18 N3 O2)

Compound Name

1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

IUPAC name

1-[(diethylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

SMILES

CCN(CC)C(C[n+]1cc(/C=N/O)ccc1)=O

InChI

InChI=1S/C12H17N3O2/c1-3-15(4-2)12(16)10-14-7-5-6-11(9-14)8-13-17/h5-9H,3-4,10H2,1-2H3/p+1

InChI Key

NTWPNLXXOSNSFA-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00982440

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

236.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.061

Distribution Coefficient, logD

1.060

Water Solubility, LogSw

-1.58

Polar Surface Area

47.615

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0134-0066 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0134-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0134-0066?
Check Price and Availability of 0134-0066, 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 0134-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0134-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0134-0066
  • 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 0134-0066 available by request