E534-0079 Screening compound: benzyl[(4,5-dimethylthiophen-3-yl)methyl]ethylamine

E534-0079 Screening compound: benzyl[(4,5-dimethylthiophen-3-yl)methyl]ethylamine
E534-0079 Screening compound: benzyl[(4,5-dimethylthiophen-3-yl)methyl]ethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E534-0079
benzyl[(4,5-dimethylthiophen-3-yl)methyl]ethylamine

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

E534-0079

Molecular Formula

C16H21NS (C16 H21 NS)

Compound Name

benzyl[(4,5-dimethylthiophen-3-yl)methyl]ethylamine

IUPAC name

benzyl[(45-dimethylthiophen-3-yl)methyl]ethylamine

SMILES

CCN(Cc1csc(C)c1C)Cc1ccccc1

InChI

InChI=1S/C16H21NS/c1-4-17(10-15-8-6-5-7-9-15)11-16-12-18-14(3)13(16)2/h5-9,12H,4,10-11H2,1-3H3

InChI Key

FABJEDCTPPVEEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-4.11

Polar Surface Area

4.693

Acid Dissociation Constant (pKa)

27.47

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E534-0079 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Eye
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with E534-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E534-0079?
Check Price and Availability of E534-0079, 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 E534-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E534-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E534-0079
  • 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 E534-0079 available by request