8019-6809 Screening compound: 7-methyl-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

8019-6809 Screening compound: 7-methyl-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
8019-6809 Screening compound: 7-methyl-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6809
7-methyl-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-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

8019-6809

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

7-methyl-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

IUPAC name

11-methyl-3-(pyridin-3-yl)-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-5-one

SMILES

CC(CC1)Cc2c1c(C(CC(N1)=O)c3cnccc3)c1s2

InChI

InChI=1S/C17H18N2OS/c1-10-4-5-12-14(7-10)21-17-16(12)13(8-15(20)19-17)11-3-2-6-18-9-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,19,20)

InChI Key

NVIIEWXQZKANPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.32

Polar Surface Area

34.128

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

8019-6809 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-6809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6809?
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What is the minimum amount of 8019-6809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6809
  • 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 8019-6809 available by request