D078-0197 Screening compound: 2-(oxolan-2-yl)-1-(3-phenoxypropyl)-1H-1,3-benzodiazole

D078-0197 Screening compound: 2-(oxolan-2-yl)-1-(3-phenoxypropyl)-1H-1,3-benzodiazole
D078-0197 Screening compound: 2-(oxolan-2-yl)-1-(3-phenoxypropyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0197
2-(oxolan-2-yl)-1-(3-phenoxypropyl)-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

D078-0197

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

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

IUPAC name

2-(oxolan-2-yl)-1-(3-phenoxypropyl)-1H-13-benzodiazole

SMILES

C(Cn1c(cccc2)c2nc1C1OCCC1)COc1ccccc1

InChI

InChI=1S/C20H22N2O2/c1-2-8-16(9-3-1)23-15-7-13-22-18-11-5-4-10-17(18)21-20(22)19-12-6-14-24-19/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1

InChI Key

RTESZEKANIAJBC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07422148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

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

4.214

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.25

Polar Surface Area

25.704

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

D078-0197 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D078-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0197?
Check Price and Availability of D078-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D078-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0197
  • 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 D078-0197 available by request