8005-9333 Screening compound: 1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine

8005-9333 Screening compound: 1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
8005-9333 Screening compound: 1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9333
1-(3-methyl-4-nitro-1H-pyrazol-5-yl)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

8005-9333

Molecular Formula

C9H14N4O2 (C9 H14 N4 O2)

Compound Name

1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine

IUPAC name

1-(3-methyl-4-nitro-1H-pyrazol-5-yl)piperidine

SMILES

Cc1n[nH]c(N2CCCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C9H14N4O2/c1-7-8(13(14)15)9(11-10-7)12-5-3-2-4-6-12/h2-6H2,1H3,(H,10,11)

InChI Key

YHPDGPCBJKDJJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00459268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.784

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-1.86

Polar Surface Area

59.742

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8005-9333 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-9333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9333?
Check Price and Availability of 8005-9333, 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 8005-9333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9333
  • 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 8005-9333 available by request