3228-0061 Screening compound: 1-phenyl-N-[(2Z)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylidene]methanamine

3228-0061 Screening compound: 1-phenyl-N-[(2Z)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylidene]methanamine
3228-0061 Screening compound: 1-phenyl-N-[(2Z)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylidene]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0061
1-phenyl-N-[(2Z)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylidene]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

3228-0061

Molecular Formula

C17H18N2 (C17 H18 N2)

Compound Name

1-phenyl-N-[(2Z)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylidene]methanamine

IUPAC name

1-phenyl-N-[(2Z)-2345-tetrahydro-1H-1-benzazepin-2-ylidene]methanamine

SMILES

C(c1ccccc1)/N=C(/CCC1)\Nc2c1cccc2

InChI

InChI=1S/C17H18N2/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)19-17/h1-5,7-9,11H,6,10,12-13H2,(H,18,19)

InChI Key

WHHWFCQVCVMYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00846523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.34

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-4.44

Polar Surface Area

20.706

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3228-0061 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3228-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0061?
Check Price and Availability of 3228-0061, 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 3228-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0061
  • 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 3228-0061 available by request