S902-1685 Screening compound: 2-{7-[(1-ethyl-1H-pyrazol-3-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

S902-1685 Screening compound: 2-{7-[(1-ethyl-1H-pyrazol-3-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
S902-1685 Screening compound: 2-{7-[(1-ethyl-1H-pyrazol-3-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 S902-1685
2-{7-[(1-ethyl-1H-pyrazol-3-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

S902-1685

Molecular Formula

C19H28N8O2 (C19 H28 N8 O2)

Compound Name

2-{7-[(1-ethyl-1H-pyrazol-3-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

2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]-NN-dimethylpiperidine-1-carboxamide

SMILES

CCn(cc1)nc1C(N1Cc2nnc(C(CCCC3)N3C(N(C)C)=O)n2CC1)=O

InChI

InChI=1S/C19H28N8O2/c1-4-25-10-8-14(22-25)18(28)24-11-12-27-16(13-24)20-21-17(27)15-7-5-6-9-26(15)19(29)23(2)3/h8,10,15H,4-7,9,11-13H2,1-3H3/t15-/m0/s1

InChI Key

RTQOZAWFRLTWMU-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

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

-0.105

Distribution Coefficient, logD

-0.105

Water Solubility, LogSw

-1.17

Polar Surface Area

73.206

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S902-1685 in Drug Discovery

Included in Screening Libraries

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 S902-1685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1685?
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What is the minimum amount of S902-1685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1685
  • 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 S902-1685 available by request