M113-0544 Screening compound: methyl 2-[8-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate

M113-0544 Screening compound: methyl 2-[8-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate
M113-0544 Screening compound: methyl 2-[8-(azepane-1-sulfonyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-0544
methyl 2-[8-(azepane-1-sulfonyl)-3-oxo-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

M113-0544

Molecular Formula

C16H22N4O5S (C16 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(OC)=O)N1N=C(C(S(N2CCCCCC2)(=O)=O)=CC=C2)N2C1=O

InChI

InChI=1S/C16H22N4O5S/c1-12(15(21)25-2)20-16(22)19-11-7-8-13(14(19)17-20)26(23,24)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3/t12-/m0/s1

InChI Key

SVNXCUACMXYCTE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27497475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

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

1.459

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-1.75

Polar Surface Area

83.322

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with M113-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-0544?
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What is the minimum amount of M113-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-0544
  • 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 M113-0544 available by request