P047-0018 Screening compound: methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

P047-0018 Screening compound: methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate
P047-0018 Screening compound: methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P047-0018
methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

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

P047-0018

Molecular Formula

C14H18N4O5S (C14 H18 N4 O5 S)

Compound Name

methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

IUPAC name

methyl 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]propanoate

SMILES

CC(C(OC)=O)N1N=C(C=CC(S(N2CCCC2)(=O)=O)=C2)N2C1=O

InChI

InChI=1S/C14H18N4O5S/c1-10(13(19)23-2)18-14(20)17-9-11(5-6-12(17)15-18)24(21,22)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m0/s1

InChI Key

JMCIIBFWLFMFNU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27560594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

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

84.855

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with P047-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P047-0018?
Check Price and Availability of P047-0018, 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 P047-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P047-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P047-0018
  • 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 P047-0018 available by request