S903-0817 Screening compound: 4-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyrimidine

S903-0817 Screening compound: 4-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyrimidine
S903-0817 Screening compound: 4-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S903-0817
4-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}pyrimidine

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

S903-0817

Molecular Formula

C18H25N7O3S (C18 H25 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(N(CC1)CCC1c1nnc(C2)n1CCN2C(c1ncncc1)=O)(=O)=O

InChI

InChI=1S/C18H25N7O3S/c1-13(2)29(27,28)24-7-4-14(5-8-24)17-22-21-16-11-23(9-10-25(16)17)18(26)15-3-6-19-12-20-15/h3,6,12-14H,4-5,7-11H2,1-2H3

InChI Key

FYAPNUAJBPCSMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31956394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.310

Distribution Coefficient, logD

-0.310

Water Solubility, LogSw

-1.64

Polar Surface Area

93.494

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S903-0817 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S903-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0817?
Check Price and Availability of S903-0817, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S903-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0817
  • 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 S903-0817 available by request