D670-0025 Screening compound: 5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

D670-0025 Screening compound: 5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole
D670-0025 Screening compound: 5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D670-0025
5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-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

D670-0025

Molecular Formula

C17H15BrN2O (C17 H15 BrN2 O)

Compound Name

5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-1,3-benzodiazole

IUPAC name

5-bromo-2-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1H-13-benzodiazole

SMILES

C=CCc(cccc1)c1OCc1nc(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C17H15BrN2O/c1-2-5-12-6-3-4-7-16(12)21-11-17-19-14-9-8-13(18)10-15(14)20-17/h2-4,6-10H,1,5,11H2,(H,19,20)

InChI Key

LDGGRBVTAMMOLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17926035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-5.30

Polar Surface Area

27.834

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D670-0025 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D670-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D670-0025?
Check Price and Availability of D670-0025, 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 D670-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D670-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D670-0025
  • 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 D670-0025 available by request