S898-0242 Screening compound: 1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide

S898-0242 Screening compound: 1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide
S898-0242 Screening compound: 1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S898-0242
1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-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

S898-0242

Molecular Formula

C20H27N5O3 (C20 H27 N5 O3)

Compound Name

1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide

IUPAC name

(6S)-1'-(furan-3-carbonyl)-N-(2-methylpropyl)-1567-tetrahydrospiro[imidazo[45-c]pyridine-44'-piperidine]-6-carboxamide

SMILES

CC(C)CNC([C@H](C1)NC(CC2)(CCN2C(c2cocc2)=O)c2c1[nH]cn2)=O

InChI

InChI=1S/C20H27N5O3/c1-13(2)10-21-18(26)16-9-15-17(23-12-22-15)20(24-16)4-6-25(7-5-20)19(27)14-3-8-28-11-14/h3,8,11-13,16,24H,4-7,9-10H2,1-2H3,(H,21,26)(H,22,23)/t16-/m0/s1

InChI Key

APDFTBWSXFHPEB-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.562

Distribution Coefficient, logD

-0.630

Water Solubility, LogSw

-1.72

Polar Surface Area

85.002

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S898-0242 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S898-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S898-0242?
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What is the minimum amount of S898-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S898-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S898-0242
  • 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 S898-0242 available by request