D186-0649 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

D186-0649 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole
D186-0649 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0649
1-[2-(4-chlorophenoxy)ethyl]-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

D186-0649

Molecular Formula

C21H24ClN3O (C21 H24 ClN3 O)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazole

SMILES

Clc(cc1)ccc1OCCn1c(cccc2)c2nc1CN1CCCCC1

InChI

InChI=1S/C21H24ClN3O/c22-17-8-10-18(11-9-17)26-15-14-25-20-7-3-2-6-19(20)23-21(25)16-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-16H2

InChI Key

HLFKVFKCHIFPLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.89

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

4.921

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.92

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

References: we are preparing a list of scientific research reports with D186-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0649?
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What is the minimum amount of D186-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0649
  • 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 D186-0649 available by request