S902-1652 Screening compound: 2-{7-[3-(1H-indol-3-yl)propanoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N,N-dimethylpiperidine-1-carboxamide

S902-1652 Screening compound: 2-{7-[3-(1H-indol-3-yl)propanoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N,N-dimethylpiperidine-1-carboxamide
S902-1652 Screening compound: 2-{7-[3-(1H-indol-3-yl)propanoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N,N-dimethylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S902-1652
2-{7-[3-(1H-indol-3-yl)propanoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N,N-dimethylpiperidine-1-carboxamide

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

S902-1652

Molecular Formula

C24H31N7O2 (C24 H31 N7 O2)

Compound Name

2-{7-[3-(1H-indol-3-yl)propanoyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-N,N-dimethylpiperidine-1-carboxamide

IUPAC name

2-{7-[3-(1H-indol-3-yl)propanoyl]-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-NN-dimethylpiperidine-1-carboxamide

SMILES

CN(C)C(N(CCCC1)C1c1nnc(C2)n1CCN2C(CCc1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C24H31N7O2/c1-28(2)24(33)30-12-6-5-9-20(30)23-27-26-21-16-29(13-14-31(21)23)22(32)11-10-17-15-25-19-8-4-3-7-18(17)19/h3-4,7-8,15,20,25H,5-6,9-14,16H2,1-2H3/t20-/m0/s1

InChI Key

MDAJPSGNBOBEDA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31955083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.34

Polar Surface Area

68.165

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S902-1652 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S902-1652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S902-1652?
Check Price and Availability of S902-1652, 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 S902-1652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S902-1652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S902-1652
  • 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 S902-1652 available by request