5586-3998 Screening compound: [2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium

5586-3998 Screening compound: [2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium
5586-3998 Screening compound: [2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-3998
[2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium

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

5586-3998

Molecular Formula

C11H17N2O3 (C11 H17 N2 O3)

Compound Name

[2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium

IUPAC name

[2-hydroxy-2-(3-nitrophenyl)ethyl]trimethylazanium

SMILES

C[N+](C)(C)CC(c1cccc([N+]([O-])=O)c1)O

InChI

InChI=1S/C11H17N2O3/c1-13(2,3)8-11(14)9-5-4-6-10(7-9)12(15)16/h4-7,11,14H,8H2,1-3H3/q+1/t11-/m0/s1

InChI Key

DWXTUOMQINKDRD-NSHDSACASA-N

MDL Number (MFCD)

MFCD00450000

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

225.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.846

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-1.53

Polar Surface Area

49.361

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

5586-3998 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5586-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-3998?
Check Price and Availability of 5586-3998, 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 5586-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-3998
  • 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 5586-3998 available by request