5701-0001 Screening compound: piperidino(1H-pyrazol-3-yl)methanone

5701-0001 Screening compound: piperidino(1H-pyrazol-3-yl)methanone
5701-0001 Screening compound: piperidino(1H-pyrazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0001
piperidino(1H-pyrazol-3-yl)methanone

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

5701-0001

Molecular Formula

C9H13N3O (C9 H13 N3 O)

Compound Name

piperidino(1H-pyrazol-3-yl)methanone

IUPAC name

1-(1H-pyrazole-3-carbonyl)piperidine

SMILES

O=C(c1n[nH]cc1)N1CCCCC1

InChI

InChI=1S/C9H13N3O/c13-9(8-4-5-10-11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11)

InChI Key

WLLMAULSQJHANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01417281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.860

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-1.78

Polar Surface Area

40.488

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

5701-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5701-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0001?
Check Price and Availability of 5701-0001, 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 5701-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0001
  • 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 5701-0001 available by request