G617-0181 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-one

G617-0181 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-one
G617-0181 Screening compound: 3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0181
3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-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

G617-0181

Molecular Formula

C22H23NO2S (C22 H23 NO2 S)

Compound Name

3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-one

IUPAC name

3-(4-benzylpiperidin-1-yl)-6-methoxy-4H-thiochromen-4-one

SMILES

COc(cc1)cc(C2=O)c1SC=C2N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C22H23NO2S/c1-25-18-7-8-21-19(14-18)22(24)20(15-26-21)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3

InChI Key

CHUGURGXAXIINT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08003747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.539

Water Solubility, LogSw

-5.57

Polar Surface Area

23.757

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G617-0181 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G617-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0181?
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What is the minimum amount of G617-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0181
  • 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 G617-0181 available by request