D186-0627 Screening compound: 1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

D186-0627 Screening compound: 1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole
D186-0627 Screening compound: 1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0627
1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

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

D186-0627

Molecular Formula

C21H25N3O (C21 H25 N3 O)

Compound Name

1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

1-(2-phenoxyethyl)-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazole

SMILES

C(COc1ccccc1)n1c(cccc2)c2nc1CN1CCCCC1

InChI

InChI=1S/C21H25N3O/c1-3-9-18(10-4-1)25-16-15-24-20-12-6-5-11-19(20)22-21(24)17-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2

InChI Key

JTWZTGJNTXMLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.18

Polar Surface Area

22.272

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D186-0627 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D186-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0627?
Check Price and Availability of D186-0627, 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 D186-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0627
  • 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 D186-0627 available by request