6287-0060 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazole

6287-0060 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazole
6287-0060 Screening compound: 1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6287-0060
1-[(2E)-3-phenylprop-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

6287-0060

Molecular Formula

C16H14N2 (C16 H14 N2)

Compound Name

1-[(2E)-3-phenylprop-2-en-1-yl]-1H-1,3-benzodiazole

IUPAC name

1-[(2E)-3-phenylprop-2-en-1-yl]-1H-13-benzodiazole

SMILES

C(/C=C/c1ccccc1)n1c(cccc2)c2nc1

InChI

InChI=1S/C16H14N2/c1-2-7-14(8-3-1)9-6-12-18-13-17-15-10-4-5-11-16(15)18/h1-11,13H,12H2

InChI Key

HRTNGSCQAGSUOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.41

Polar Surface Area

10.402

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

6287-0060 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6287-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6287-0060?
Check Price and Availability of 6287-0060, 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 6287-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6287-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6287-0060
  • 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 6287-0060 available by request