S980-0046 Screening compound: 2-(2-{1'-benzyl-[1,4'-bipiperidin]-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol

S980-0046 Screening compound: 2-(2-{1'-benzyl-[1,4'-bipiperidin]-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol
S980-0046 Screening compound: 2-(2-{1'-benzyl-[1,4'-bipiperidin]-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0046
2-(2-{1'-benzyl-[1,4'-bipiperidin]-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

S980-0046

Molecular Formula

C23H34N4O (C23 H34 N4 O)

Compound Name

2-(2-{1'-benzyl-[1,4'-bipiperidin]-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol

IUPAC name

2-(2-{1'-benzyl-[14'-bipiperidin]-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol

SMILES

Cc1cnc(C(CC2)CCN2C2CCN(Cc3ccccc3)CC2)n1CCO

InChI

InChI=1S/C23H34N4O/c1-19-17-24-23(27(19)15-16-28)21-7-13-26(14-8-21)22-9-11-25(12-10-22)18-20-5-3-2-4-6-20/h2-6,17,21-22,28H,7-16,18H2,1H3

InChI Key

CFPRAGOWKWHHES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-1.87

Polar Surface Area

34.883

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

9.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

S980-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S980-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0046?
Check Price and Availability of S980-0046, 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 S980-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0046
  • 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 S980-0046 available by request