M451-1858 Screening compound: ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M451-1858 Screening compound: ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M451-1858 Screening compound: ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-1858
ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

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

M451-1858

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1N=C(C(SC2CCCCC2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C22H25N5O4S/c1-2-31-21(29)15-8-10-16(11-9-15)24-18(28)14-27-22(30)26-13-12-23-20(19(26)25-27)32-17-6-4-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,24,28)

InChI Key

YZFCHICBNDLYIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26940970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.83

Polar Surface Area

83.532

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with M451-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-1858?
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What is the minimum amount of M451-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-1858
  • 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 M451-1858 available by request