S693-0115 Screening compound: 1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

S693-0115 Screening compound: 1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one
S693-0115 Screening compound: 1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0115
1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-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

S693-0115

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

SMILES

CC(N1CC(Cn2c(-c3ccccc3)ncc2C)CCC1)=O

InChI

InChI=1S/C18H23N3O/c1-14-11-19-18(17-8-4-3-5-9-17)21(14)13-16-7-6-10-20(12-16)15(2)22/h3-5,8-9,11,16H,6-7,10,12-13H2,1-2H3/t16-/m0/s1

InChI Key

DDIHCBHRVFFZJI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31966544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-2.85

Polar Surface Area

28.473

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S693-0115 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S693-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0115?
Check Price and Availability of S693-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S693-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0115
  • 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 S693-0115 available by request