M113-0107 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0107 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0107 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0107
2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-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

M113-0107

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-8-(pyrrolidine-1-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2S(N3CCCC3)(=O)=O)C2=NN1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H18N4O5S/c23-18-21-9-3-4-16(28(24,25)20-7-1-2-8-20)17(21)19-22(18)11-13-5-6-14-15(10-13)27-12-26-14/h3-6,9-10H,1-2,7-8,11-12H2

InChI Key

VFJDXLGVFAUKME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-2.62

Polar Surface Area

80.494

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M113-0107 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M113-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0107?
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What is the minimum amount of M113-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0107
  • 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 M113-0107 available by request