M451-2288 Screening compound: N-(3-chloro-2-methylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2288 Screening compound: N-(3-chloro-2-methylphenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2288 Screening compound: N-(3-chloro-2-methylphenyl)-2-{8-[(3-fluorophenyl)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 M451-2288
N-(3-chloro-2-methylphenyl)-2-{8-[(3-fluorophenyl)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

M451-2288

Molecular Formula

C20H15ClFN5O2S (C20 H15 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(CN1N=C(C(Sc2cc(F)ccc2)=NC=C2)N2C1=O)=O)ccc1)c1Cl

InChI

InChI=1S/C20H15ClFN5O2S/c1-12-15(21)6-3-7-16(12)24-17(28)11-27-20(29)26-9-8-23-19(18(26)25-27)30-14-5-2-4-13(22)10-14/h2-10H,11H2,1H3,(H,24,28)

InChI Key

ZMSPMFLVQFBWHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

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

3.511

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.79

Polar Surface Area

61.889

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with M451-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2288?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2288
  • 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 M451-2288 available by request