3257-3051 Screening compound: 4-nitro-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile

3257-3051 Screening compound: 4-nitro-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile
3257-3051 Screening compound: 4-nitro-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3051
4-nitro-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile

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

3257-3051

Molecular Formula

C13H12N4O2 (C13 H12 N4 O2)

Compound Name

4-nitro-5-(piperidin-1-yl)benzene-1,2-dicarbonitrile

IUPAC name

4-nitro-5-(piperidin-1-yl)benzene-12-dicarbonitrile

SMILES

N#Cc(c(C#N)c1)cc(N2CCCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C13H12N4O2/c14-8-10-6-12(16-4-2-1-3-5-16)13(17(18)19)7-11(10)9-15/h6-7H,1-5H2

InChI Key

SSPWMSHGINWXPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-2.76

Polar Surface Area

70.583

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3257-3051 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 3257-3051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3051?
Check Price and Availability of 3257-3051, 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 3257-3051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3051
  • 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 3257-3051 available by request