M113-0359 Screening compound: methyl 2-[3-oxo-8-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate

M113-0359 Screening compound: methyl 2-[3-oxo-8-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate
M113-0359 Screening compound: methyl 2-[3-oxo-8-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0359
methyl 2-[3-oxo-8-(1,2,3,4-tetrahydroisoquinoline-2-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

M113-0359

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

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

IUPAC name

methyl 2-[3-oxo-8-(1234-tetrahydroisoquinoline-2-sulfonyl)-2H3H-[124]triazolo[43-a]pyridin-2-yl]acetate

SMILES

COC(CN1N=C(C(S(N(CC2)Cc3c2cccc3)(=O)=O)=CC=C2)N2C1=O)=O

InChI

InChI=1S/C18H18N4O5S/c1-27-16(23)12-22-18(24)21-9-4-7-15(17(21)19-22)28(25,26)20-10-8-13-5-2-3-6-14(13)11-20/h2-7,9H,8,10-12H2,1H3

InChI Key

BWWCBCNIEVNEAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

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

1.332

Distribution Coefficient, logD

1.332

Water Solubility, LogSw

-2.20

Polar Surface Area

83.525

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M113-0359 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 M113-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0359?
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What is the minimum amount of M113-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0359
  • 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 M113-0359 available by request