D011-4119 Screening compound: 1-(1-propyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

D011-4119 Screening compound: 1-(1-propyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol
D011-4119 Screening compound: 1-(1-propyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4119
1-(1-propyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

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

D011-4119

Molecular Formula

C12H16N2O (C12 H16 N2 O)

Compound Name

1-(1-propyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

IUPAC name

1-(1-propyl-1H-13-benzodiazol-2-yl)ethan-1-ol

SMILES

CCCn1c(cccc2)c2nc1C(C)O

InChI

InChI=1S/C12H16N2O/c1-3-8-14-11-7-5-4-6-10(11)13-12(14)9(2)15/h4-7,9,15H,3,8H2,1-2H3/t9-/m0/s1

InChI Key

BQEPXLVACKZRHK-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01552006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.10

Polar Surface Area

26.428

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

D011-4119 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-4119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4119?
Check Price and Availability of D011-4119, 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 D011-4119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4119
  • 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 D011-4119 available by request