S980-0048 Screening compound: 2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol

S980-0048 Screening compound: 2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol
S980-0048 Screening compound: 2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0048
2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol

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

S980-0048

Molecular Formula

C17H27N3O2 (C17 H27 N3 O2)

Compound Name

2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol

IUPAC name

2-[2-(1-cyclopentanecarbonylpiperidin-4-yl)-5-methyl-1H-imidazol-1-yl]ethan-1-ol

SMILES

Cc1cnc(C(CC2)CCN2C(C2CCCC2)=O)n1CCO

InChI

InChI=1S/C17H27N3O2/c1-13-12-18-16(20(13)10-11-21)14-6-8-19(9-7-14)17(22)15-4-2-3-5-15/h12,14-15,21H,2-11H2,1H3

InChI Key

BABKQRXMDNUBBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-1.59

Polar Surface Area

45.264

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.47

S980-0048 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S980-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0048?
Check Price and Availability of S980-0048, 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 S980-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0048
  • 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 S980-0048 available by request