S980-0131 Screening compound: 2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-ol

S980-0131 Screening compound: 2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-ol
S980-0131 Screening compound: 2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0131
2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-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

S980-0131

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-ol

IUPAC name

(2R)-2-{5-methyl-2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propan-1-ol

SMILES

C[C@H](CO)n1c(C(CC2)CCN2C(c2nc3ccccc3cc2)=O)ncc1C

InChI

InChI=1S/C22H26N4O2/c1-15-13-23-21(26(15)16(2)14-27)18-9-11-25(12-10-18)22(28)20-8-7-17-5-3-4-6-19(17)24-20/h3-8,13,16,18,27H,9-12,14H2,1-2H3/t16-/m1/s1

InChI Key

JTJHWGNBQZHUHC-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-2.60

Polar Surface Area

54.177

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

S980-0131 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S980-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0131?
Check Price and Availability of S980-0131, 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 S980-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0131
  • 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 S980-0131 available by request