D011-4859 Screening compound: 2-(methoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole

D011-4859 Screening compound: 2-(methoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole
D011-4859 Screening compound: 2-(methoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4859
2-(methoxymethyl)-1-(propan-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

D011-4859

Molecular Formula

C12H16N2O (C12 H16 N2 O)

Compound Name

2-(methoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

2-(methoxymethyl)-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cccc2)c2nc1COC

InChI

InChI=1S/C12H16N2O/c1-9(2)14-11-7-5-4-6-10(11)13-12(14)8-15-3/h4-7,9H,8H2,1-3H3

InChI Key

YJVPXMRHOMDBQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214934

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

204.27

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

2.403

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-2.41

Polar Surface Area

20.914

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D011-4859 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-4859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4859?
Check Price and Availability of D011-4859, 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 D011-4859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4859
  • 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 D011-4859 available by request