M451-2845 Screening compound: 2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-cyclopentylacetamide

M451-2845 Screening compound: 2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-cyclopentylacetamide
M451-2845 Screening compound: 2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2845
2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-cyclopentylacetamide

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

M451-2845

Molecular Formula

C19H20ClN5O2S (C19 H20 ClN5 O2 S)

Compound Name

2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-cyclopentylacetamide

IUPAC name

2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl)-N-cyclopentylacetamide

SMILES

O=C(CN1N=C(C(SCc(cc2)ccc2Cl)=NC=C2)N2C1=O)NC1CCCC1

InChI

InChI=1S/C19H20ClN5O2S/c20-14-7-5-13(6-8-14)12-28-18-17-23-25(19(27)24(17)10-9-21-18)11-16(26)22-15-3-1-2-4-15/h5-10,15H,1-4,11-12H2,(H,22,26)

InChI Key

LQWHREHSUFQBIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736850

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-3.26

Polar Surface Area

64.000

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M451-2845 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M451-2845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2845?
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What is the minimum amount of M451-2845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2845
  • 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 M451-2845 available by request