5786-1435 Screening compound: phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol

5786-1435 Screening compound: phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol
5786-1435 Screening compound: phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1435
phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol

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

5786-1435

Molecular Formula

C17H16N2O (C17 H16 N2 O)

Compound Name

phenyl[1-(prop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]methanol

IUPAC name

n/a

SMILES

C=CCn1c(cccc2)c2nc1C(c1ccccc1)O

InChI

InChI=1S/C17H16N2O/c1-2-12-19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h2-11,16,20H,1,12H2/t16-/m1/s1

InChI Key

YPHATWPQCSCPCW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01056105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.27

Polar Surface Area

25.830

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

5786-1435 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5786-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1435?
Check Price and Availability of 5786-1435, 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 5786-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1435
  • 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 5786-1435 available by request