8013-3151 Screening compound: 2-nitro-1-(4-pyridyl)-1-ethanol

8013-3151 Screening compound: 2-nitro-1-(4-pyridyl)-1-ethanol
8013-3151 Screening compound: 2-nitro-1-(4-pyridyl)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3151
2-nitro-1-(4-pyridyl)-1-ethanol

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

8013-3151

Molecular Formula

C7H8N2O3 (C7 H8 N2 O3)

Compound Name

2-nitro-1-(4-pyridyl)-1-ethanol

IUPAC name

2-nitro-1-(pyridin-4-yl)ethan-1-ol

SMILES

[O-][N+](CC(c1ccncc1)O)=O

InChI

InChI=1S/C7H8N2O3/c10-7(5-9(11)12)6-1-3-8-4-2-6/h1-4,7,10H,5H2/t7-/m0/s1

InChI Key

SGMASOGGNOSBGC-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD03765991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

168.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.351

Distribution Coefficient, logD

-0.387

Water Solubility, LogSw

-0.62

Polar Surface Area

63.467

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

8013-3151 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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 8013-3151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3151?
Check Price and Availability of 8013-3151, 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 8013-3151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3151
  • 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 8013-3151 available by request