3455-2178 Screening compound: 3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine

3455-2178 Screening compound: 3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine
3455-2178 Screening compound: 3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-2178
3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine

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

3455-2178

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine

IUPAC name

35-dimethyl-1-(2-methyl-3-nitrobenzoyl)piperidine

SMILES

CC(CC(C)C1)CN1C(c1cccc([N+]([O-])=O)c1C)=O

InChI

InChI=1S/C15H20N2O3/c1-10-7-11(2)9-16(8-10)15(18)13-5-4-6-14(12(13)3)17(19)20/h4-6,10-11H,7-9H2,1-3H3

InChI Key

MSMZPBGANVGFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.89

Polar Surface Area

49.834

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

3455-2178 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3455-2178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-2178?
Check Price and Availability of 3455-2178, 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 3455-2178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-2178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-2178
  • 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 3455-2178 available by request