5556-0035 Screening compound: (2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide

5556-0035 Screening compound: (2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
5556-0035 Screening compound: (2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0035
(2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide

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

5556-0035

Molecular Formula

C8H12N4O2 (C8 H12 N4 O2)

Compound Name

(2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide

IUPAC name

(2E)-2-(N-hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]acetamide

SMILES

O/N=C/C(NCCCn1cncc1)=O

InChI

InChI=1S/C8H12N4O2/c13-8(6-11-14)10-2-1-4-12-5-3-9-7-12/h3,5-7,14H,1-2,4H2,(H,10,13)

InChI Key

LWMFQSCWZHDRNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.826

Distribution Coefficient, logD

-1.070

Water Solubility, LogSw

-0.40

Polar Surface Area

66.367

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5556-0035 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 5556-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0035?
Check Price and Availability of 5556-0035, 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 5556-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0035
  • 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 5556-0035 available by request