S698-1921 Screening compound: 2-cyclopentyl-1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidin-1-yl]ethan-1-one

S698-1921 Screening compound: 2-cyclopentyl-1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidin-1-yl]ethan-1-one
S698-1921 Screening compound: 2-cyclopentyl-1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1921
2-cyclopentyl-1-[4-(2,5-dimethyl-1H-imidazol-1-yl)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

S698-1921

Molecular Formula

C17H27N3O (C17 H27 N3 O)

Compound Name

2-cyclopentyl-1-[4-(2,5-dimethyl-1H-imidazol-1-yl)piperidin-1-yl]ethan-1-one

IUPAC name

2-cyclopentyl-1-[4-(25-dimethyl-1H-imidazol-1-yl)piperidin-1-yl]ethan-1-one

SMILES

Cc1cnc(C)n1C(CC1)CCN1C(CC1CCCC1)=O

InChI

InChI=1S/C17H27N3O/c1-13-12-18-14(2)20(13)16-7-9-19(10-8-16)17(21)11-15-5-3-4-6-15/h12,15-16H,3-11H2,1-2H3

InChI Key

WEACQYYKLTYEIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.42

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

2.271

Distribution Coefficient, logD

0.363

Water Solubility, LogSw

-2.09

Polar Surface Area

29.263

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.47

S698-1921 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S698-1921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1921?
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What is the minimum amount of S698-1921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1921
  • 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 S698-1921 available by request