S980-0062 Screening compound: 2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-1-yl}ethan-1-ol

S980-0062 Screening compound: 2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-1-yl}ethan-1-ol
S980-0062 Screening compound: 2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-1-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0062
2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-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

S980-0062

Molecular Formula

C20H29N3O (C20 H29 N3 O)

Compound Name

2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-1-yl}ethan-1-ol

IUPAC name

2-{5-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-1-yl}ethan-1-ol

SMILES

Cc1cnc(C2CCN(CCCc3ccccc3)CC2)n1CCO

InChI

InChI=1S/C20H29N3O/c1-17-16-21-20(23(17)14-15-24)19-9-12-22(13-10-19)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,16,19,24H,5,8-15H2,1H3

InChI Key

YTVKTKITWKOAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

0.902

Water Solubility, LogSw

-2.64

Polar Surface Area

31.768

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S980-0062 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S980-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0062?
Check Price and Availability of S980-0062, 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 S980-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0062
  • 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 S980-0062 available by request