D078-0200 Screening compound: 1-[3-(2-methoxyphenoxy)propyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole

D078-0200 Screening compound: 1-[3-(2-methoxyphenoxy)propyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole
D078-0200 Screening compound: 1-[3-(2-methoxyphenoxy)propyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0200
1-[3-(2-methoxyphenoxy)propyl]-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

D078-0200

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

1-[3-(2-methoxyphenoxy)propyl]-2-(oxolan-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-[3-(2-methoxyphenoxy)propyl]-2-(oxolan-2-yl)-1H-13-benzodiazole

SMILES

COc(cccc1)c1OCCCn1c(cccc2)c2nc1C1OCCC1

InChI

InChI=1S/C21H24N2O3/c1-24-18-10-4-5-11-19(18)25-15-7-13-23-17-9-3-2-8-16(17)22-21(23)20-12-6-14-26-20/h2-5,8-11,20H,6-7,12-15H2,1H3/t20-/m0/s1

InChI Key

OUYHSXBGFDKBDB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08362162

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

352.43

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

3.926

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.06

Polar Surface Area

33.421

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D078-0200 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D078-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0200?
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What is the minimum amount of D078-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0200
  • 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 D078-0200 available by request