8018-5572 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

8018-5572 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine
8018-5572 Screening compound: 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5572
1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

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

8018-5572

Molecular Formula

C9H13NS (C9 H13 NS)

Compound Name

1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanamine

IUPAC name

1-(4567-tetrahydro-1-benzothiophen-3-yl)methanamine

SMILES

NCc1csc2c1CCCC2

InChI

InChI=1S/C9H13NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h6H,1-5,10H2

InChI Key

BDGQTXKDNSURFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800524

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

167.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

-3.312

Water Solubility, LogSw

-1.71

Polar Surface Area

22.838

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

12.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8018-5572 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-5572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5572?
Check Price and Availability of 8018-5572, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-5572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5572
  • 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 8018-5572 available by request