D186-0535 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-[1-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazole

D186-0535 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-[1-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazole
D186-0535 Screening compound: 1-[2-(4-methoxyphenoxy)ethyl]-2-[1-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0535
1-[2-(4-methoxyphenoxy)ethyl]-2-[1-(piperidin-1-yl)ethyl]-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

D186-0535

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1nc(cccc2)c2n1CCOc(cc1)ccc1OC)N1CCCCC1

InChI

InChI=1S/C23H29N3O2/c1-18(25-14-6-3-7-15-25)23-24-21-8-4-5-9-22(21)26(23)16-17-28-20-12-10-19(27-2)11-13-20/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3/t18-/m0/s1

InChI Key

RYNAHUBBAUWXGP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14813721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.45

Polar Surface Area

28.512

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D186-0535 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D186-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0535?
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What is the minimum amount of D186-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0535
  • 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 D186-0535 available by request