S693-0981 Screening compound: 3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

S693-0981 Screening compound: 3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine
S693-0981 Screening compound: 3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0981
3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

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

S693-0981

Molecular Formula

C22H30N6 (C22 H30 N6)

Compound Name

3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

IUPAC name

3-[1-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-5-methyl-1H-imidazol-2-yl]pyridine

SMILES

CCn1ncc(CN2CC(Cn3c(-c4cccnc4)ncc3C)CCC2)c1C

InChI

InChI=1S/C22H30N6/c1-4-28-18(3)21(13-25-28)16-26-10-6-7-19(14-26)15-27-17(2)11-24-22(27)20-8-5-9-23-12-20/h5,8-9,11-13,19H,4,6-7,10,14-16H2,1-3H3/t19-/m0/s1

InChI Key

FUJJEBUYVOFDND-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32226048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

-3.453

Water Solubility, LogSw

-1.24

Polar Surface Area

38.261

Acid Dissociation Constant (pKa)

23.99

Base Dissociation Constant (pKb)

12.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S693-0981 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S693-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0981?
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What is the minimum amount of S693-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0981
  • 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 S693-0981 available by request