S901-0693 Screening compound: 2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

S901-0693 Screening compound: 2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
S901-0693 Screening compound: 2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S901-0693
2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-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

S901-0693

Molecular Formula

C20H21N5O2 (C20 H21 N5 O2)

Compound Name

2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

IUPAC name

2-ethyl-7-(6-methylpyridine-3-carbonyl)-8-phenyl-2H3H5H6H7H8H-[124]triazolo[43-a]pyrazin-3-one

SMILES

CCN1N=C(C(c2ccccc2)N(CC2)C(c3cnc(C)cc3)=O)N2C1=O

InChI

InChI=1S/C20H21N5O2/c1-3-25-20(27)24-12-11-23(19(26)16-10-9-14(2)21-13-16)17(18(24)22-25)15-7-5-4-6-8-15/h4-10,13,17H,3,11-12H2,1-2H3/t17-/m1/s1

InChI Key

DULHTOWINMUKTG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31956045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-2.65

Polar Surface Area

56.848

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

S901-0693 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S901-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S901-0693?
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What is the minimum amount of S901-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S901-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S901-0693
  • 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 S901-0693 available by request