T161-0002 Screening compound: 2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-amine

T161-0002 Screening compound: 2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-amine
T161-0002 Screening compound: 2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T161-0002
2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-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

T161-0002

Molecular Formula

C13H17N3 (C13 H17 N3)

Compound Name

2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-amine

IUPAC name

2-(1-benzyl-5-methyl-1H-imidazol-2-yl)ethan-1-amine

SMILES

Cc1cnc(CCN)n1Cc1ccccc1

InChI

InChI=1S/C13H17N3/c1-11-9-15-13(7-8-14)16(11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10,14H2,1H3

InChI Key

VZGZTNVWZCTBJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

-1.045

Water Solubility, LogSw

-0.75

Polar Surface Area

33.555

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

T161-0002 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T161-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T161-0002?
Check Price and Availability of T161-0002, 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 T161-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T161-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T161-0002
  • 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 T161-0002 available by request