5446-1836 Screening compound: 2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

5446-1836 Screening compound: 2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole
5446-1836 Screening compound: 2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5446-1836
2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

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

5446-1836

Molecular Formula

C11H10N2O2 (C11 H10 N2 O2)

Compound Name

2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

IUPAC name

2-methyl-3-[(1E)-2-nitroethenyl]-1H-indole

SMILES

Cc1c(/C=C/[N+]([O-])=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C11H10N2O2/c1-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12-8/h2-7,12H,1H3

InChI Key

DTSVTKXSWKXFDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.66

Polar Surface Area

47.423

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5446-1836 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5446-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5446-1836?
Check Price and Availability of 5446-1836, 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 5446-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5446-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5446-1836
  • 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 5446-1836 available by request