S980-0036 Screening compound: 1-{4-[1-(2-HYDROXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]PIPERIDIN-1-YL}-3-(4-METHOXYPHENYL)PROPAN-1-ONE

S980-0036 Screening compound: 1-{4-[1-(2-HYDROXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]PIPERIDIN-1-YL}-3-(4-METHOXYPHENYL)PROPAN-1-ONE
S980-0036 Screening compound: 1-{4-[1-(2-HYDROXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]PIPERIDIN-1-YL}-3-(4-METHOXYPHENYL)PROPAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S980-0036
1-{4-[1-(2-HYDROXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]PIPERIDIN-1-YL}-3-(4-METHOXYPHENYL)PROPAN-1-ONE

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

S980-0036

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

1-{4-[1-(2-HYDROXYETHYL)-5-METHYL-1H-IMIDAZOL-2-YL]PIPERIDIN-1-YL}-3-(4-METHOXYPHENYL)PROPAN-1-ONE

IUPAC name

n/a

SMILES

Cc1cnc(C(CC2)CCN2C(CCc(cc2)ccc2OC)=O)n1CCO

InChI

InChI=1S/C21H29N3O3/c1-16-15-22-21(24(16)13-14-25)18-9-11-23(12-10-18)20(26)8-5-17-3-6-19(27-2)7-4-17/h3-4,6-7,15,18,25H,5,8-14H2,1-2H3

InChI Key

DPMZDTCUJLIHTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

1.326

Water Solubility, LogSw

-2.06

Polar Surface Area

51.722

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

S980-0036 in Drug Discovery

Included in Screening Libraries

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 S980-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S980-0036?
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What is the minimum amount of S980-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S980-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S980-0036
  • 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 S980-0036 available by request