S903-0890 Screening compound: 2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one

S903-0890 Screening compound: 2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one
S903-0890 Screening compound: 2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-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 S903-0890
2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-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

S903-0890

Molecular Formula

C19H29N7O3S (C19 H29 N7 O3 S)

Compound Name

2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl}ethan-1-one

IUPAC name

2-(4-methyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl}ethan-1-one

SMILES

CC(C)S(N(CC1)CCC1c1nnc(C2)n1CCN2C(Cn1ncc(C)c1)=O)(=O)=O

InChI

InChI=1S/C19H29N7O3S/c1-14(2)30(28,29)25-6-4-16(5-7-25)19-22-21-17-12-23(8-9-26(17)19)18(27)13-24-11-15(3)10-20-24/h10-11,14,16H,4-9,12-13H2,1-3H3

InChI Key

BINPCVOFOKEEHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31955196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.030

Distribution Coefficient, logD

-0.030

Water Solubility, LogSw

-1.20

Polar Surface Area

87.553

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

S903-0890 in Drug Discovery

Included in Screening Libraries

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 S903-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0890?
Check Price and Availability of S903-0890, 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 S903-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0890
  • 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 S903-0890 available by request