P047-0439 Screening compound: propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

P047-0439 Screening compound: propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
P047-0439 Screening compound: propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0439
propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

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

P047-0439

Molecular Formula

C15H20N4O5S2 (C15 H20 N4 O5 S2)

Compound Name

propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

IUPAC name

propan-2-yl 2-[3-oxo-6-(thiomorpholine-4-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

CC(C)OC(CN1N=C(C=CC(S(N2CCSCC2)(=O)=O)=C2)N2C1=O)=O

InChI

InChI=1S/C15H20N4O5S2/c1-11(2)24-14(20)10-19-15(21)18-9-12(3-4-13(18)16-19)26(22,23)17-5-7-25-8-6-17/h3-4,9,11H,5-8,10H2,1-2H3

InChI Key

OXMKLPXDFDXMCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.601

Distribution Coefficient, logD

0.601

Water Solubility, LogSw

-1.33

Polar Surface Area

84.620

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

P047-0439 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P047-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0439?
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What is the minimum amount of P047-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0439
  • 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 P047-0439 available by request