3555-0148 Screening compound: 15-(benzylsulfanyl)-14-azadispiro[5.1.5.2]pentadeca-1,4,14-trien-3-one

3555-0148 Screening compound: 15-(benzylsulfanyl)-14-azadispiro[5.1.5.2]pentadeca-1,4,14-trien-3-one
3555-0148 Screening compound: 15-(benzylsulfanyl)-14-azadispiro[5.1.5.2]pentadeca-1,4,14-trien-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3555-0148
15-(benzylsulfanyl)-14-azadispiro[5.1.5.2]pentadeca-1,4,14-trien-3-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

3555-0148

Molecular Formula

C21H23NOS (C21 H23 NOS)

Compound Name

15-(benzylsulfanyl)-14-azadispiro[5.1.5.2]pentadeca-1,4,14-trien-3-one

IUPAC name

15-(benzylsulfanyl)-14-azadispiro[5.1.5^{8}.2^{6}]pentadeca-1414-trien-3-one

SMILES

O=C(C=C1)C=CC1(C1)C(SCc2ccccc2)=NC11CCCCC1

InChI

InChI=1S/C21H23NOS/c23-18-9-13-20(14-10-18)16-21(11-5-2-6-12-21)22-19(20)24-15-17-7-3-1-4-8-17/h1,3-4,7-10,13-14H,2,5-6,11-12,15-16H2

InChI Key

DDVZBQWSJSPHSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02130569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.59

Polar Surface Area

22.884

Acid Dissociation Constant (pKa)

28.17

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3555-0148 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3555-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3555-0148?
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What is the minimum amount of 3555-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3555-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3555-0148
  • 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 3555-0148 available by request