S922-0094 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]-6'-carboxamide

S922-0094 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]-6'-carboxamide
S922-0094 Screening compound: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]-6'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S922-0094
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]-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

S922-0094

Molecular Formula

C19H28N6O (C19 H28 N6 O)

Compound Name

N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1',5',6',7'-tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]-6'-carboxamide

IUPAC name

(6'S)-N-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1'5'6'7'-tetrahydrospiro[cyclohexane-14'-imidazo[45-c]pyridine]-6'-carboxamide

SMILES

Cc1nn(C)cc1CN(C)C([C@H](C1)NC2(CCCCC2)c2c1[nH]cn2)=O

InChI

InChI=1S/C19H28N6O/c1-13-14(11-25(3)23-13)10-24(2)18(26)16-9-15-17(21-12-20-15)19(22-16)7-5-4-6-8-19/h11-12,16,22H,4-10H2,1-3H3,(H,20,21)/t16-/m0/s1

InChI Key

NNBDGXSQDBQUTI-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.979

Distribution Coefficient, logD

-1.043

Water Solubility, LogSw

-1.66

Polar Surface Area

67.370

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S922-0094 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S922-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S922-0094?
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What is the minimum amount of S922-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S922-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S922-0094
  • 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 S922-0094 available by request