4644-0205 Screening compound: 1-[(3,5-DIHYDRO-1H-2,4-BENZODIOXEPIN-3-YL)METHYL]PIPERIDINE

4644-0205 Screening compound: 1-[(3,5-DIHYDRO-1H-2,4-BENZODIOXEPIN-3-YL)METHYL]PIPERIDINE
4644-0205 Screening compound: 1-[(3,5-DIHYDRO-1H-2,4-BENZODIOXEPIN-3-YL)METHYL]PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4644-0205
1-[(3,5-DIHYDRO-1H-2,4-BENZODIOXEPIN-3-YL)METHYL]PIPERIDINE

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

4644-0205

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

1-[(3,5-DIHYDRO-1H-2,4-BENZODIOXEPIN-3-YL)METHYL]PIPERIDINE

IUPAC name

n/a

SMILES

C(C(OC1)OCc2c1cccc2)N1CCCCC1

InChI

InChI=1S/C15H21NO2/c1-4-8-16(9-5-1)10-15-17-11-13-6-2-3-7-14(13)12-18-15/h2-3,6-7,15H,1,4-5,8-12H2

InChI Key

VRQWLIGTBWLJSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-2.33

Polar Surface Area

22.199

Acid Dissociation Constant (pKa)

25.32

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4644-0205 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4644-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4644-0205?
Check Price and Availability of 4644-0205, 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 4644-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4644-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4644-0205
  • 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 4644-0205 available by request