M451-1871 Screening compound: N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

M451-1871 Screening compound: N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
M451-1871 Screening compound: N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-1871
N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-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

M451-1871

Molecular Formula

C19H20ClN5O2S (C19 H20 ClN5 O2 S)

Compound Name

N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

IUPAC name

N-(2-chlorophenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamide

SMILES

O=C(CN1N=C(C(SC2CCCCC2)=NC=C2)N2C1=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C19H20ClN5O2S/c20-14-8-4-5-9-15(14)22-16(26)12-25-19(27)24-11-10-21-18(17(24)23-25)28-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,22,26)

InChI Key

OPVLMLDPLAJEKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

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

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.43

Polar Surface Area

62.081

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with M451-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-1871?
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What is the minimum amount of M451-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-1871
  • 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 M451-1871 available by request