M451-2081 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2081 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2081 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2081
N-(3-chloro-4-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

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

M451-2081

Molecular Formula

C21H17ClFN5O2S (C21 H17 ClFN5 O2 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{8-[(24-dimethylphenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

Cc(cc1)cc(C)c1SC(C1=NN2CC(Nc(cc3)cc(Cl)c3F)=O)=NC=CN1C2=O

InChI

InChI=1S/C21H17ClFN5O2S/c1-12-3-6-17(13(2)9-12)31-20-19-26-28(21(30)27(19)8-7-24-20)11-18(29)25-14-4-5-16(23)15(22)10-14/h3-10H,11H2,1-2H3,(H,25,29)

InChI Key

NWQFPVUEXNSSNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.45

Polar Surface Area

62.586

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with M451-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2081?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2081
  • 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 M451-2081 available by request