M113-0090 Screening compound: methyl 2-[3-oxo-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

M113-0090 Screening compound: methyl 2-[3-oxo-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate
M113-0090 Screening compound: methyl 2-[3-oxo-8-(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 M113-0090
methyl 2-[3-oxo-8-(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

M113-0090

Molecular Formula

C14H18N4O5S (C14 H18 N4 O5 S)

Compound Name

methyl 2-[3-oxo-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

IUPAC name

methyl 2-[3-oxo-8-(pyrrolidine-1-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]propanoate

SMILES

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

InChI

InChI=1S/C14H18N4O5S/c1-10(13(19)23-2)18-14(20)17-9-5-6-11(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

UWENMQPNOXFKAW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27497414

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

0.633

Distribution Coefficient, logD

0.633

Water Solubility, LogSw

-1.37

Polar Surface Area

83.357

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

M113-0090 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M113-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0090?
Check Price and Availability of M113-0090, 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 M113-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0090
  • 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 M113-0090 available by request