S693-0920 Screening compound: 3-(1-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

S693-0920 Screening compound: 3-(1-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine
S693-0920 Screening compound: 3-(1-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0920
3-(1-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)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

S693-0920

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

3-(1-{[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

IUPAC name

3-(1-{[1-(35-dimethyl-12-oxazole-4-carbonyl)piperidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

SMILES

Cc1cnc(-c2cnccc2)n1CC(CCC1)CN1C(c1c(C)onc1C)=O

InChI

InChI=1S/C21H25N5O2/c1-14-10-23-20(18-7-4-8-22-11-18)26(14)13-17-6-5-9-25(12-17)21(27)19-15(2)24-28-16(19)3/h4,7-8,10-11,17H,5-6,9,12-13H2,1-3H3/t17-/m0/s1

InChI Key

JOKVANOGVMDPML-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31982600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-1.29

Polar Surface Area

59.289

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S693-0920 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)

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
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S693-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0920?
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What is the minimum amount of S693-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0920
  • 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 S693-0920 available by request