S620-1848 Screening compound: N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

S620-1848 Screening compound: N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
S620-1848 Screening compound: N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S620-1848
N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

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

S620-1848

Molecular Formula

C17H23N5OS (C17 H23 N5 OS)

Compound Name

N~1~-[(3S,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(2-thienylmethyl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

IUPAC name

N-[(3S4S)-4-(3-methyl-1H-124-triazol-5-yl)-1-[(thiophen-2-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide

SMILES

Cc1n[nH]c([C@H](CCN(Cc2cccs2)C2)[C@H]2NC(C2CC2)=O)n1

InChI

InChI=1S/C17H23N5OS/c1-11-18-16(21-20-11)14-6-7-22(9-13-3-2-8-24-13)10-15(14)19-17(23)12-4-5-12/h2-3,8,12,14-15H,4-7,9-10H2,1H3,(H,19,23)(H,18,20,21)/t14-,15-/m0/s1

InChI Key

OALPWLJMIFWUKD-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.260

Water Solubility, LogSw

-2.55

Polar Surface Area

63.180

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S620-1848 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 S620-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S620-1848?
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What is the minimum amount of S620-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S620-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S620-1848
  • 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 S620-1848 available by request