3446-0020 Screening compound: 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one

3446-0020 Screening compound: 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one
3446-0020 Screening compound: 2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3446-0020
2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one

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

3446-0020

Molecular Formula

C12H11N3O3 (C12 H11 N3 O3)

Compound Name

2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one

IUPAC name

2-(2-methyl-4-nitro-1H-imidazol-1-yl)-1-phenylethan-1-one

SMILES

Cc1nc([N+]([O-])=O)cn1CC(c1ccccc1)=O

InChI

InChI=1S/C12H11N3O3/c1-9-13-12(15(17)18)8-14(9)7-11(16)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3

InChI Key

SEKQVWBZIUOCTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00957459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-1.52

Polar Surface Area

58.078

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3446-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3446-0020?
Check Price and Availability of 3446-0020, 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 3446-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3446-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3446-0020
  • 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 3446-0020 available by request