D011-3597 Screening compound: 2-(furan-2-yl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole

D011-3597 Screening compound: 2-(furan-2-yl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
D011-3597 Screening compound: 2-(furan-2-yl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3597
2-(furan-2-yl)-1-(prop-2-en-1-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

D011-3597

Molecular Formula

C14H12N2O (C14 H12 N2 O)

Compound Name

2-(furan-2-yl)-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-(furan-2-yl)-1-(prop-2-en-1-yl)-1H-13-benzodiazole

SMILES

C=CCn1c(-c2ccco2)nc2c1cccc2

InChI

InChI=1S/C14H12N2O/c1-2-9-16-12-7-4-3-6-11(12)15-14(16)13-8-5-10-17-13/h2-8,10H,1,9H2

InChI Key

YIZNFVRSVHLZIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000837

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

224.26

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

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.41

Polar Surface Area

18.724

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D011-3597 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D011-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3597?
Check Price and Availability of D011-3597, 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 D011-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3597
  • 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 D011-3597 available by request