D078-0189 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole

D078-0189 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole
D078-0189 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0189
1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-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

D078-0189

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-[2-(2-chlorophenoxy)ethyl]-2-(oxolan-2-yl)-1H-13-benzodiazole

SMILES

Clc(cccc1)c1OCCn1c(cccc2)c2nc1C1OCCC1

InChI

InChI=1S/C19H19ClN2O2/c20-14-6-1-4-9-17(14)24-13-11-22-16-8-3-2-7-15(16)21-19(22)18-10-5-12-23-18/h1-4,6-9,18H,5,10-13H2/t18-/m0/s1

InChI Key

VMQOKSFTBFHFNJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07189139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.40

Polar Surface Area

25.790

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D078-0189 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D078-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0189?
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What is the minimum amount of D078-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0189
  • 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 D078-0189 available by request