S693-0361 Screening compound: 1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one

S693-0361 Screening compound: 1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one
S693-0361 Screening compound: 1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0361
1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one

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

S693-0361

Molecular Formula

C18H29N3O2 (C18 H29 N3 O2)

Compound Name

1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one

IUPAC name

1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidin-1-yl)propan-1-one

SMILES

CCC(N1CC(Cn2c(C3CCOCC3)ncc2C)CCC1)=O

InChI

InChI=1S/C18H29N3O2/c1-3-17(22)20-8-4-5-15(12-20)13-21-14(2)11-19-18(21)16-6-9-23-10-7-16/h11,15-16H,3-10,12-13H2,1-2H3/t15-/m0/s1

InChI Key

BPFFVOBEZJIYNM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31985582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-1.94

Polar Surface Area

35.578

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

S693-0361 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S693-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0361?
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What is the minimum amount of S693-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0361
  • 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 S693-0361 available by request