S698-2500 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]-1-(propane-1-sulfonyl)piperidine

S698-2500 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]-1-(propane-1-sulfonyl)piperidine
S698-2500 Screening compound: 4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]-1-(propane-1-sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-2500
4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]-1-(propane-1-sulfonyl)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

S698-2500

Molecular Formula

C16H27N3O3S (C16 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCS(N(CC1)CCC1n1c(C2OCCC2)ncc1C)(=O)=O

InChI

InChI=1S/C16H27N3O3S/c1-3-11-23(20,21)18-8-6-14(7-9-18)19-13(2)12-17-16(19)15-5-4-10-22-15/h12,14-15H,3-11H2,1-2H3/t15-/m0/s1

InChI Key

KAGOPXZIQQZCHQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32226339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-1.64

Polar Surface Area

51.825

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S698-2500 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S698-2500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-2500?
Check Price and Availability of S698-2500, 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 S698-2500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-2500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-2500
  • 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 S698-2500 available by request