G617-0047 Screening compound: 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one

G617-0047 Screening compound: 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one
G617-0047 Screening compound: 3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0047
3-(azepan-1-yl)-6-methyl-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

G617-0047

Molecular Formula

C16H19NOS (C16 H19 NOS)

Compound Name

3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one

IUPAC name

3-(azepan-1-yl)-6-methyl-4H-thiochromen-4-one

SMILES

Cc(cc1)cc(C2=O)c1SC=C2N1CCCCCC1

InChI

InChI=1S/C16H19NOS/c1-12-6-7-15-13(10-12)16(18)14(11-19-15)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9H2,1H3

InChI Key

MJNXZPINQOLSFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08003695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.21

Polar Surface Area

16.816

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

G617-0047 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G617-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0047?
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What is the minimum amount of G617-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0047
  • 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 G617-0047 available by request