P047-0068 Screening compound: 6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0068 Screening compound: 6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0068 Screening compound: 6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0068
6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

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

P047-0068

Molecular Formula

C14H18N4O3S (C14 H18 N4 O3 S)

Compound Name

6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

6-(piperidine-1-sulfonyl)-2-(prop-2-en-1-yl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

C=CCN1N=C(C=CC(S(N2CCCCC2)(=O)=O)=C2)N2C1=O

InChI

InChI=1S/C14H18N4O3S/c1-2-8-18-14(19)17-11-12(6-7-13(17)15-18)22(20,21)16-9-4-3-5-10-16/h2,6-7,11H,1,3-5,8-10H2

InChI Key

QZFRQFYQMYMLNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.228

Distribution Coefficient, logD

1.228

Water Solubility, LogSw

-1.77

Polar Surface Area

64.760

Acid Dissociation Constant (pKa)

27.14

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P047-0068 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P047-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0068?
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What is the minimum amount of P047-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0068
  • 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 P047-0068 available by request