P047-0178 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0178 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0178 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0178
6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-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

P047-0178

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(2-phenylethyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

CC(CC1)CCN1S(C(C=CC1=NN2CCc3ccccc3)=CN1C2=O)(=O)=O

InChI

InChI=1S/C20H24N4O3S/c1-16-9-12-22(13-10-16)28(26,27)18-7-8-19-21-24(20(25)23(19)15-18)14-11-17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3

InChI Key

LZWHOCWYKOGPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.42

Polar Surface Area

64.489

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P047-0178 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 P047-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0178?
Check Price and Availability of P047-0178, 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 P047-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0178
  • 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 P047-0178 available by request