S903-0324 Screening compound: 4-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinecarboxamide

S903-0324 Screening compound: 4-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinecarboxamide
S903-0324 Screening compound: 4-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S903-0324
4-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinecarboxamide

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

S903-0324

Molecular Formula

C20H30N8O2 (C20 H30 N8 O2)

Compound Name

4-{7-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]-NN-dimethylpiperidine-1-carboxamide

SMILES

CCn1ncc(C(N2Cc3nnc(C(CC4)CCN4C(N(C)C)=O)n3CC2)=O)c1C

InChI

InChI=1S/C20H30N8O2/c1-5-28-14(2)16(12-21-28)19(29)26-10-11-27-17(13-26)22-23-18(27)15-6-8-25(9-7-15)20(30)24(3)4/h12,15H,5-11,13H2,1-4H3

InChI Key

VXPQIGBVIDGDAA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.015

Distribution Coefficient, logD

-0.015

Water Solubility, LogSw

-0.88

Polar Surface Area

73.053

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S903-0324 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)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S903-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S903-0324?
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What is the minimum amount of S903-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S903-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S903-0324
  • 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 S903-0324 available by request