P047-0424 Screening compound: 2-ethyl-6-(1,4-thiazinan-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

P047-0424 Screening compound: 2-ethyl-6-(1,4-thiazinan-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
P047-0424 Screening compound: 2-ethyl-6-(1,4-thiazinan-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0424
2-ethyl-6-(1,4-thiazinan-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-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

P047-0424

Molecular Formula

C12H16N4O3S2 (C12 H16 N4 O3 S2)

Compound Name

2-ethyl-6-(1,4-thiazinan-4-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

IUPAC name

2-ethyl-6-(thiomorpholine-4-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

CCN1N=C(C=CC(S(N2CCSCC2)(=O)=O)=C2)N2C1=O

InChI

InChI=1S/C12H16N4O3S2/c1-2-16-12(17)15-9-10(3-4-11(15)13-16)21(18,19)14-5-7-20-8-6-14/h3-4,9H,2,5-8H2,1H3

InChI Key

QGICNKFRFPFKGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.642

Distribution Coefficient, logD

0.642

Water Solubility, LogSw

-1.40

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P047-0424 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P047-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0424?
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What is the minimum amount of P047-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0424
  • 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 P047-0424 available by request