0375-0477 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)propyl]-1H-1,3-benzodiazole

0375-0477 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)propyl]-1H-1,3-benzodiazole
0375-0477 Screening compound: 2-[3-(1H-1,3-benzodiazol-2-yl)propyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0375-0477
2-[3-(1H-1,3-benzodiazol-2-yl)propyl]-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

0375-0477

Molecular Formula

C17H16N4 (C17 H16 N4)

Compound Name

2-[3-(1H-1,3-benzodiazol-2-yl)propyl]-1H-1,3-benzodiazole

IUPAC name

2-[3-(1H-13-benzodiazol-2-yl)propyl]-1H-13-benzodiazole

SMILES

C(Cc1nc(cccc2)c2[nH]1)Cc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C17H16N4/c1-2-7-13-12(6-1)18-16(19-13)10-5-11-17-20-14-8-3-4-9-15(14)21-17/h1-4,6-9H,5,10-11H2,(H,18,19)(H,20,21)

InChI Key

DKPRGKDYGLKMLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00628962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-4.25

Polar Surface Area

40.530

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

0375-0477 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0375-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0375-0477?
Check Price and Availability of 0375-0477, 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 0375-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0375-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0375-0477
  • 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 0375-0477 available by request