0134-0070 Screening compound: 1-[(dibutylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium

0134-0070 Screening compound: 1-[(dibutylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium
0134-0070 Screening compound: 1-[(dibutylcarbamoyl)methyl]-3-[(E)-(hydroxyimino)methyl]pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0134-0070
1-[(dibutylcarbamoyl)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

0134-0070

Molecular Formula

C16H26N3O2 (C16 H26 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CCCC)C(C[n+]1cc(/C=N/O)ccc1)=O

InChI

InChI=1S/C16H25N3O2/c1-3-5-10-19(11-6-4-2)16(20)14-18-9-7-8-15(13-18)12-17-21/h7-9,12-13H,3-6,10-11,14H2,1-2H3/p+1

InChI Key

RCTGILCVQLZICR-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00804764

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

292.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-2.79

Polar Surface Area

48.123

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

0134-0070 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 0134-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0134-0070?
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What is the minimum amount of 0134-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0134-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0134-0070
  • 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 0134-0070 available by request