8011-1399 Screening compound: 4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde

8011-1399 Screening compound: 4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde
8011-1399 Screening compound: 4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1399
4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde

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

8011-1399

Molecular Formula

C15H13BrO3 (C15 H13 BrO3)

Compound Name

4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde

IUPAC name

4-(benzyloxy)-3-bromo-5-methoxybenzaldehyde

SMILES

COc1cc(C=O)cc(Br)c1OCc1ccccc1

InChI

InChI=1S/C15H13BrO3/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3

InChI Key

LHBCOPLQBMQCAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.04

Polar Surface Area

29.429

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8011-1399 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8011-1399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1399?
Check Price and Availability of 8011-1399, 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 8011-1399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1399
  • 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 8011-1399 available by request