8013-4189 Screening compound: 5-nitro-6-(3-nitrophenyl)-2-piperidinone

8013-4189 Screening compound: 5-nitro-6-(3-nitrophenyl)-2-piperidinone
8013-4189 Screening compound: 5-nitro-6-(3-nitrophenyl)-2-piperidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4189
5-nitro-6-(3-nitrophenyl)-2-piperidinone

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

8013-4189

Molecular Formula

C11H11N3O5 (C11 H11 N3 O5)

Compound Name

5-nitro-6-(3-nitrophenyl)-2-piperidinone

IUPAC name

n/a

SMILES

[O-][N+](C(CC1)C(c2cccc([N+]([O-])=O)c2)NC1=O)=O

InChI

InChI=1S/C11H11N3O5/c15-10-5-4-9(14(18)19)11(12-10)7-2-1-3-8(6-7)13(16)17/h1-3,6,9,11H,4-5H2,(H,12,15)

InChI Key

HNPKDEDJNOBPTB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.854

Distribution Coefficient, logD

-0.075

Water Solubility, LogSw

-2.24

Polar Surface Area

91.641

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8013-4189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4189?
Check Price and Availability of 8013-4189, 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 8013-4189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4189
  • 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 8013-4189 available by request