S437-0500 Screening compound: 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one

S437-0500 Screening compound: 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one
S437-0500 Screening compound: 6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S437-0500
6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-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

S437-0500

Molecular Formula

C17H18N6O2 (C17 H18 N6 O2)

Compound Name

6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one

IUPAC name

6-methyl-3-(4-phenylpiperazine-1-carbonyl)-4H5H-[123]triazolo[15-a]pyrazin-4-one

SMILES

CC(N1)=Cn2nnc(C(N(CC3)CCN3c3ccccc3)=O)c2C1=O

InChI

InChI=1S/C17H18N6O2/c1-12-11-23-15(16(24)18-12)14(19-20-23)17(25)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,18,24)

InChI Key

AHJMELIQXXITLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22619373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.487

Distribution Coefficient, logD

0.094

Water Solubility, LogSw

-1.82

Polar Surface Area

70.467

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

S437-0500 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S437-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0500?
Check Price and Availability of S437-0500, 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 S437-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0500
  • 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 S437-0500 available by request