S698-0010 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine

S698-0010 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine
S698-0010 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-0010
4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine

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

S698-0010

Molecular Formula

C13H21N3O (C13 H21 N3 O)

Compound Name

4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine

IUPAC name

4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidine

SMILES

Cc1cnc(C2OCCC2)n1C1CCNCC1

InChI

InChI=1S/C13H21N3O/c1-10-9-15-13(12-3-2-8-17-12)16(10)11-4-6-14-7-5-11/h9,11-12,14H,2-8H2,1H3/t12-/m0/s1

InChI Key

GWQXEFCNPUIEME-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30458162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.186

Distribution Coefficient, logD

-3.476

Water Solubility, LogSw

-1.18

Polar Surface Area

32.101

Acid Dissociation Constant (pKa)

23.41

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

S698-0010 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 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
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S698-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-0010?
Check Price and Availability of S698-0010, 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 S698-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-0010
  • 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 S698-0010 available by request