M113-1625 Screening compound: methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate

M113-1625 Screening compound: methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate
M113-1625 Screening compound: methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M113-1625
methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-3-oxo-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

M113-1625

Molecular Formula

C19H20FN5O5S (C19 H20 FN5 O5 S)

Compound Name

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

IUPAC name

methyl 2-(8-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-3-oxo-2H3H-[124]triazolo[43-a]pyridin-2-yl)acetate

SMILES

COC(CN1N=C(C(S(N(CC2)CCN2c(cc2)ccc2F)(=O)=O)=CC=C2)N2C1=O)=O

InChI

InChI=1S/C19H20FN5O5S/c1-30-17(26)13-25-19(27)24-8-2-3-16(18(24)21-25)31(28,29)23-11-9-22(10-12-23)15-6-4-14(20)5-7-15/h2-8H,9-13H2,1H3

InChI Key

QONHEWVSYZWQSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.165

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-2.32

Polar Surface Area

87.123

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with M113-1625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M113-1625?
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What is the minimum amount of M113-1625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M113-1625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M113-1625
  • 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 M113-1625 available by request