D078-0187 Screening compound: 2-(oxolan-2-yl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

D078-0187 Screening compound: 2-(oxolan-2-yl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
D078-0187 Screening compound: 2-(oxolan-2-yl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0187
2-(oxolan-2-yl)-1-(2-phenoxyethyl)-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

D078-0187

Molecular Formula

C19H20N2O2 (C19 H20 N2 O2)

Compound Name

2-(oxolan-2-yl)-1-(2-phenoxyethyl)-1H-1,3-benzodiazole

IUPAC name

2-(oxolan-2-yl)-1-(2-phenoxyethyl)-1H-13-benzodiazole

SMILES

C(COc1ccccc1)n1c(cccc2)c2nc1C1OCCC1

InChI

InChI=1S/C19H20N2O2/c1-2-7-15(8-3-1)22-14-12-21-17-10-5-4-9-16(17)20-19(21)18-11-6-13-23-18/h1-5,7-10,18H,6,11-14H2/t18-/m0/s1

InChI Key

CRWUORRAMQHBGW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07189137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

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

3.992

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.15

Polar Surface Area

25.704

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D078-0187 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 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 D078-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0187?
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What is the minimum amount of D078-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0187
  • 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 D078-0187 available by request