M113-0570 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3,5-difluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M113-0570 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3,5-difluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M113-0570 Screening compound: 8-(azepane-1-sulfonyl)-2-[(3,5-difluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0570
8-(azepane-1-sulfonyl)-2-[(3,5-difluorophenyl)methyl]-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

M113-0570

Molecular Formula

C19H20F2N4O3S (C19 H20 F2 N4 O3 S)

Compound Name

8-(azepane-1-sulfonyl)-2-[(3,5-difluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

8-(azepane-1-sulfonyl)-2-[(35-difluorophenyl)methyl]-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2S(N3CCCCCC3)(=O)=O)C2=NN1Cc1cc(F)cc(F)c1

InChI

InChI=1S/C19H20F2N4O3S/c20-15-10-14(11-16(21)12-15)13-25-19(26)24-9-5-6-17(18(24)22-25)29(27,28)23-7-3-1-2-4-8-23/h5-6,9-12H,1-4,7-8,13H2

InChI Key

PREMHTGKOHBXKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.21

Polar Surface Area

63.343

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M113-0570 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M113-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0570?
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What is the minimum amount of M113-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0570
  • 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 M113-0570 available by request