8104-01183 Screening compound: N-(2-chlorobenzyl)-N-[(5-methyl-2-thienyl)methyl]amine

8104-01183 Screening compound: N-(2-chlorobenzyl)-N-[(5-methyl-2-thienyl)methyl]amine
8104-01183 Screening compound: N-(2-chlorobenzyl)-N-[(5-methyl-2-thienyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-01183
N-(2-chlorobenzyl)-N-[(5-methyl-2-thienyl)methyl]amine

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

8104-01183

Molecular Formula

C13H14ClNS (C13 H14 ClNS)

Compound Name

N-(2-chlorobenzyl)-N-[(5-methyl-2-thienyl)methyl]amine

IUPAC name

[(2-chlorophenyl)methyl][(5-methylthiophen-2-yl)methyl]amine

SMILES

Cc1ccc(CNCc(cccc2)c2Cl)s1

InChI

InChI=1S/C13H14ClNS/c1-10-6-7-12(16-10)9-15-8-11-4-2-3-5-13(11)14/h2-7,15H,8-9H2,1H3

InChI Key

FOJNBGPYVHWAES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04537422

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.78

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-4.04

Polar Surface Area

13.023

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8104-01183 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8104-01183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-01183?
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What is the minimum amount of 8104-01183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-01183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-01183
  • 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 8104-01183 available by request