0622-0121 Screening compound: N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

0622-0121 Screening compound: N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
0622-0121 Screening compound: N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0622-0121
N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

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

0622-0121

Molecular Formula

C10H13NOS (C10 H13 NOS)

Compound Name

N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

IUPAC name

N-(4567-tetrahydro-1-benzothiophen-2-yl)acetamide

SMILES

CC(Nc1cc(CCCC2)c2s1)=O

InChI

InChI=1S/C10H13NOS/c1-7(12)11-10-6-8-4-2-3-5-9(8)13-10/h6H,2-5H2,1H3,(H,11,12)

InChI Key

DCLNLGZBUXXBQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-2.68

Polar Surface Area

23.913

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0622-0121 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0622-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0622-0121?
Check Price and Availability of 0622-0121, 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 0622-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0622-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0622-0121
  • 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 0622-0121 available by request