S980-0052 Screening compound: 2-(2-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol

S980-0052 Screening compound: 2-(2-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol
S980-0052 Screening compound: 2-(2-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}-5-methyl-1H-imidazol-1-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0052
2-(2-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-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

S980-0052

Molecular Formula

C17H23FN4O (C17 H23 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C2CCN(Cc(ccnc3)c3F)CC2)n1CCO

InChI

InChI=1S/C17H23FN4O/c1-13-10-20-17(22(13)8-9-23)14-3-6-21(7-4-14)12-15-2-5-19-11-16(15)18/h2,5,10-11,14,23H,3-4,6-9,12H2,1H3

InChI Key

IBLQJVHMKZCYIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.39

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

1.380

Distribution Coefficient, logD

0.326

Water Solubility, LogSw

-0.48

Polar Surface Area

41.308

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S980-0052 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S980-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0052?
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What is the minimum amount of S980-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0052
  • 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 S980-0052 available by request