2294-0369 Screening compound: 3-methyl-1-(4-nitrobenzenesulfonyl)piperidine

2294-0369 Screening compound: 3-methyl-1-(4-nitrobenzenesulfonyl)piperidine
2294-0369 Screening compound: 3-methyl-1-(4-nitrobenzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2294-0369
3-methyl-1-(4-nitrobenzenesulfonyl)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

2294-0369

Molecular Formula

C12H16N2O4S (C12 H16 N2 O4 S)

Compound Name

3-methyl-1-(4-nitrobenzenesulfonyl)piperidine

IUPAC name

3-methyl-1-(4-nitrobenzenesulfonyl)piperidine

SMILES

CC(CCC1)CN1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C12H16N2O4S/c1-10-3-2-8-13(9-10)19(17,18)12-6-4-11(5-7-12)14(15)16/h4-7,10H,2-3,8-9H2,1H3/t10-/m0/s1

InChI Key

TVUDMFVXAQIEEG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00547905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.67

Polar Surface Area

65.264

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

2294-0369 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2294-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2294-0369?
Check Price and Availability of 2294-0369, 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 2294-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2294-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2294-0369
  • 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 2294-0369 available by request