D078-0159 Screening compound: 1-(2-methylpropyl)-2-(oxolan-2-yl)-1H-1,3-benzodiazole

D078-0159 Screening compound: 1-(2-methylpropyl)-2-(oxolan-2-yl)-1H-1,3-benzodiazole
D078-0159 Screening compound: 1-(2-methylpropyl)-2-(oxolan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0159
1-(2-methylpropyl)-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

D078-0159

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cn1c(cccc2)c2nc1C1OCCC1

InChI

InChI=1S/C15H20N2O/c1-11(2)10-17-13-7-4-3-6-12(13)16-15(17)14-8-5-9-18-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3/t14-/m0/s1

InChI Key

VEBASDDQTQGAHG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD13854624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.52

Polar Surface Area

18.579

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

D078-0159 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D078-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0159?
Check Price and Availability of D078-0159, 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 D078-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0159
  • 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 D078-0159 available by request