S898-0934 Screening compound: (6{S})-1'-[(6-hydroxypyridin-3-yl)carbonyl]-{N},{N}-dimethyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-{c}]pyridine-4,4'-piperidine]-6-carboxamide

S898-0934 Screening compound: (6{S})-1'-[(6-hydroxypyridin-3-yl)carbonyl]-{N},{N}-dimethyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-{c}]pyridine-4,4'-piperidine]-6-carboxamide
S898-0934 Screening compound: (6{S})-1'-[(6-hydroxypyridin-3-yl)carbonyl]-{N},{N}-dimethyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-{c}]pyridine-4,4'-piperidine]-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S898-0934
(6{S})-1'-[(6-hydroxypyridin-3-yl)carbonyl]-{N},{N}-dimethyl-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

S898-0934

Molecular Formula

C19H24N6O3 (C19 H24 N6 O3)

Compound Name

(6{S})-1'-[(6-hydroxypyridin-3-yl)carbonyl]-{N},{N}-dimethyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-{c}]pyridine-4,4'-piperidine]-6-carboxamide

IUPAC name

(6S)-1'-(6-hydroxypyridine-3-carbonyl)-NN-dimethyl-1567-tetrahydrospiro[imidazo[45-c]pyridine-44'-piperidine]-6-carboxamide

SMILES

CN(C)C([C@H](C1)NC(CC2)(CCN2C(c(cc2)cnc2O)=O)c2c1[nH]cn2)=O

InChI

InChI=1S/C19H24N6O3/c1-24(2)18(28)14-9-13-16(22-11-21-13)19(23-14)5-7-25(8-6-19)17(27)12-3-4-15(26)20-10-12/h3-4,10-11,14,23H,5-9H2,1-2H3,(H,20,26)(H,21,22)/t14-/m0/s1

InChI Key

PMYCYBOGUDJUEH-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.403

Distribution Coefficient, logD

-2.596

Water Solubility, LogSw

-1.48

Polar Surface Area

94.911

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S898-0934 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S898-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S898-0934?
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What is the minimum amount of S898-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S898-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S898-0934
  • 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 S898-0934 available by request