P047-0436 Screening compound: 2-[2-(4-fluorophenoxy)ethyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

P047-0436 Screening compound: 2-[2-(4-fluorophenoxy)ethyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
P047-0436 Screening compound: 2-[2-(4-fluorophenoxy)ethyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0436
2-[2-(4-fluorophenoxy)ethyl]-6-(thiomorpholine-4-sulfonyl)-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

P047-0436

Molecular Formula

C18H19FN4O4S2 (C18 H19 FN4 O4 S2)

Compound Name

2-[2-(4-fluorophenoxy)ethyl]-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

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

SMILES

O=C1N(C=C(C=C2)S(N3CCSCC3)(=O)=O)C2=NN1CCOc(cc1)ccc1F

InChI

InChI=1S/C18H19FN4O4S2/c19-14-1-3-15(4-2-14)27-10-7-23-18(24)22-13-16(5-6-17(22)20-23)29(25,26)21-8-11-28-12-9-21/h1-6,13H,7-12H2

InChI Key

RRSCDOYWOIJUKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.40

Polar Surface Area

71.907

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P047-0436 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P047-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0436?
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What is the minimum amount of P047-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0436
  • 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 P047-0436 available by request