S902-1212 Screening compound: N~1~,N~1~-dimethyl-2-{7-[(3-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1(2H)-pyridinecarboxamide

S902-1212 Screening compound: N~1~,N~1~-dimethyl-2-{7-[(3-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
S902-1212 Screening compound: N~1~,N~1~-dimethyl-2-{7-[(3-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-1212
N~1~,N~1~-dimethyl-2-{7-[(3-methyl-2-thienyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}tetrahydro-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

S902-1212

Molecular Formula

C19H28N6OS (C19 H28 N6 OS)

Compound Name

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

IUPAC name

NN-dimethyl-2-{7-[(3-methylthiophen-2-yl)methyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}piperidine-1-carboxamide

SMILES

Cc1c(CN2Cc3nnc(C(CCCC4)N4C(N(C)C)=O)n3CC2)scc1

InChI

InChI=1S/C19H28N6OS/c1-14-7-11-27-16(14)12-23-9-10-25-17(13-23)20-21-18(25)15-6-4-5-8-24(15)19(26)22(2)3/h7,11,15H,4-6,8-10,12-13H2,1-3H3/t15-/m0/s1

InChI Key

CDKXRWWFDHRWKX-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.767

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-2.33

Polar Surface Area

46.924

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S902-1212 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S902-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1212?
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What is the minimum amount of S902-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1212
  • 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 S902-1212 available by request