8009-3731 Screening compound: 1-methyl-4-nitro-1H-imidazole

8009-3731 Screening compound: 1-methyl-4-nitro-1H-imidazole
8009-3731 Screening compound: 1-methyl-4-nitro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3731
1-methyl-4-nitro-1H-imidazole

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

8009-3731

Molecular Formula

C4H5N3O2 (C4 H5 N3 O2)

Compound Name

1-methyl-4-nitro-1H-imidazole

IUPAC name

1-methyl-4-nitro-1H-imidazole

SMILES

Cn1cnc([N+]([O-])=O)c1

InChI

InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

InChI Key

HSCOLDQJZRZQMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00159683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

127.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.301

Distribution Coefficient, logD

-0.301

Water Solubility, LogSw

-0.74

Polar Surface Area

45.720

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8009-3731 in Drug Discovery

Included in Screening Libraries

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 8009-3731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3731?
Check Price and Availability of 8009-3731, 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 8009-3731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3731
  • 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 8009-3731 available by request