SA05-0844 Screening compound: 2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

SA05-0844 Screening compound: 2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one
SA05-0844 Screening compound: 2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA05-0844
2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

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

SA05-0844

Molecular Formula

C19H22ClN5O2 (C19 H22 ClN5 O2)

Compound Name

2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethan-1-one

IUPAC name

2-(3-chlorophenyl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl]ethan-1-one

SMILES

Cc1nnc(C2C(N3CCCC3)=O)n1CCN2C(Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C19H22ClN5O2/c1-13-21-22-18-17(19(27)23-7-2-3-8-23)25(10-9-24(13)18)16(26)12-14-5-4-6-15(20)11-14/h4-6,11,17H,2-3,7-10,12H2,1H3/t17-/m1/s1

InChI Key

OUVUARTZFDPJBP-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32233367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.35

Polar Surface Area

57.457

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SA05-0844 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA05-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA05-0844?
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What is the minimum amount of SA05-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA05-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA05-0844
  • 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 SA05-0844 available by request