0054-0042 Screening compound: 1-bromo-4-ethoxybenzene

0054-0042 Screening compound: 1-bromo-4-ethoxybenzene
0054-0042 Screening compound: 1-bromo-4-ethoxybenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0042
1-bromo-4-ethoxybenzene

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

0054-0042

Molecular Formula

C8H9BrO (C8 H9 BrO)

Compound Name

1-bromo-4-ethoxybenzene

IUPAC name

1-bromo-4-ethoxybenzene

SMILES

CCOc(cc1)ccc1Br

InChI

InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChI Key

WVUYYXUATWMVIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00000098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.06

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.25

Polar Surface Area

7.362

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0054-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0054-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0042?
Check Price and Availability of 0054-0042, 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 0054-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0042
  • 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 0054-0042 available by request