S903-0718 Screening compound: 2,6-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyridine

S903-0718 Screening compound: 2,6-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyridine
S903-0718 Screening compound: 2,6-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S903-0718
2,6-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyridine

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

S903-0718

Molecular Formula

C21H30N6O5S (C21 H30 N6 O5 S)

Compound Name

2,6-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyridine

IUPAC name

26-dimethoxy-3-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H6H7H8H-[124]triazolo[43-a]pyrazine-7-carbonyl}pyridine

SMILES

CC(C)S(N(CC1)CCC1c1nnc(C2)n1CCN2C(c(ccc(OC)n1)c1OC)=O)(=O)=O

InChI

InChI=1S/C21H30N6O5S/c1-14(2)33(29,30)26-9-7-15(8-10-26)19-24-23-17-13-25(11-12-27(17)19)21(28)16-5-6-18(31-3)22-20(16)32-4/h5-6,14-15H,7-13H2,1-4H3

InChI Key

BKMNXSZXCLUZPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31955521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.489

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-2.50

Polar Surface Area

97.665

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S903-0718 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S903-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0718?
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What is the minimum amount of S903-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0718
  • 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 S903-0718 available by request