S898-0263 Screening compound: N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide

S898-0263 Screening compound: N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide
S898-0263 Screening compound: N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S898-0263
N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-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

S898-0263

Molecular Formula

C21H29N5O2S (C21 H29 N5 O2 S)

Compound Name

N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-6-carboxamide

IUPAC name

(6S)-N-(2-methylpropyl)-1'-[2-(thiophen-2-yl)acetyl]-1567-tetrahydrospiro[imidazo[45-c]pyridine-44'-piperidine]-6-carboxamide

SMILES

CC(C)CNC([C@H](C1)NC(CC2)(CCN2C(Cc2cccs2)=O)c2c1[nH]cn2)=O

InChI

InChI=1S/C21H29N5O2S/c1-14(2)12-22-20(28)17-11-16-19(24-13-23-16)21(25-17)5-7-26(8-6-21)18(27)10-15-4-3-9-29-15/h3-4,9,13-14,17,25H,5-8,10-12H2,1-2H3,(H,22,28)(H,23,24)/t17-/m0/s1

InChI Key

RZTSONDLCUUQKE-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

-0.133

Water Solubility, LogSw

-2.11

Polar Surface Area

77.690

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S898-0263 in Drug Discovery

Included in Screening Libraries

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

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
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 S898-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S898-0263?
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What is the minimum amount of S898-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S898-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S898-0263
  • 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 S898-0263 available by request