2332-0639 Screening compound: N-(4-METHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)AMINE

2332-0639 Screening compound: N-(4-METHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)AMINE
2332-0639 Screening compound: N-(4-METHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0639
N-(4-METHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)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

2332-0639

Molecular Formula

C13H18N2O (C13 H18 N2 O)

Compound Name

N-(4-METHOXYPHENYL)-N-(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)AMINE

IUPAC name

n/a

SMILES

COc(cc1)ccc1NC1=NCCCCC1

InChI

InChI=1S/C13H18N2O/c1-16-12-8-6-11(7-9-12)15-13-5-3-2-4-10-14-13/h6-9H,2-5,10H2,1H3,(H,14,15)

InChI Key

NMNIQWVCRPQNHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-3.43

Polar Surface Area

27.535

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

2332-0639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 2332-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0639?
Check Price and Availability of 2332-0639, 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 2332-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0639
  • 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 2332-0639 available by request