8011-2296 Screening compound: benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

8011-2296 Screening compound: benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
8011-2296 Screening compound: benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2296
benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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

8011-2296

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

n/a

SMILES

CC(NC(CC1c(cc2)ccc2[N+]([O-])=O)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C20H18N2O5/c1-13-19(20(24)27-12-14-5-3-2-4-6-14)17(11-18(23)21-13)15-7-9-16(10-8-15)22(25)26/h2-10,17H,11-12H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

HQKWZBHLOYLPQN-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-3.38

Polar Surface Area

78.678

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8011-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2296?
Check Price and Availability of 8011-2296, 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 8011-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2296
  • 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 8011-2296 available by request