3474-0029 Screening compound: (2E)-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-imine

3474-0029 Screening compound: (2E)-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-imine
3474-0029 Screening compound: (2E)-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0029
(2E)-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-imine

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

3474-0029

Molecular Formula

C17H18N2O (C17 H18 N2 O)

Compound Name

(2E)-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-imine

IUPAC name

(2E)-N-(4-methoxyphenyl)-2345-tetrahydro-1H-1-benzazepin-2-imine

SMILES

COc(cc1)ccc1/N=C(\CCC1)/Nc2c1cccc2

InChI

InChI=1S/C17H18N2O/c1-20-15-11-9-14(10-12-15)18-17-8-4-6-13-5-2-3-7-16(13)19-17/h2-3,5,7,9-12H,4,6,8H2,1H3,(H,18,19)

InChI Key

UMUQLMPKXNTCBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-3.91

Polar Surface Area

27.731

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3474-0029 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3474-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0029?
Check Price and Availability of 3474-0029, 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 3474-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0029
  • 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 3474-0029 available by request