8005-4123 Screening compound: 3,5-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine

8005-4123 Screening compound: 3,5-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine
8005-4123 Screening compound: 3,5-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4123
3,5-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine

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

8005-4123

Molecular Formula

C14H14N2O2 (C14 H14 N2 O2)

Compound Name

3,5-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine

IUPAC name

35-dimethyl-2-(4-methyl-3-nitrophenyl)pyridine

SMILES

Cc(cc1C)cnc1-c1cc([N+]([O-])=O)c(C)cc1

InChI

InChI=1S/C14H14N2O2/c1-9-6-11(3)14(15-8-9)12-5-4-10(2)13(7-12)16(17)18/h4-8H,1-3H3

InChI Key

GFQDOQLONQAUKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.238

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.28

Polar Surface Area

42.955

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8005-4123 in Drug Discovery

Included in Screening Libraries

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

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 8005-4123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4123?
Check Price and Availability of 8005-4123, 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 8005-4123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4123
  • 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 8005-4123 available by request