D010-0097 Screening compound: N-[(furan-2-yl)methyl]-1-propyl-1H-1,3-benzodiazol-2-amine

D010-0097 Screening compound: N-[(furan-2-yl)methyl]-1-propyl-1H-1,3-benzodiazol-2-amine
D010-0097 Screening compound: N-[(furan-2-yl)methyl]-1-propyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D010-0097
N-[(furan-2-yl)methyl]-1-propyl-1H-1,3-benzodiazol-2-amine

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

D010-0097

Molecular Formula

C15H17N3O (C15 H17 N3 O)

Compound Name

N-[(furan-2-yl)methyl]-1-propyl-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(furan-2-yl)methyl]-1-propyl-1H-13-benzodiazol-2-amine

SMILES

CCCn1c(NCc2ccco2)nc2c1cccc2

InChI

InChI=1S/C15H17N3O/c1-2-9-18-14-8-4-3-7-13(14)17-15(18)16-11-12-6-5-10-19-12/h3-8,10H,2,9,11H2,1H3,(H,16,17)

InChI Key

NGLVIFBDNDEZEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-3.91

Polar Surface Area

30.308

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D010-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D010-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D010-0097?
Check Price and Availability of D010-0097, 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 D010-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D010-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D010-0097
  • 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 D010-0097 available by request