8005-4241 Screening compound: 1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene

8005-4241 Screening compound: 1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene
8005-4241 Screening compound: 1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4241
1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene

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

8005-4241

Molecular Formula

C20H17NO4 (C20 H17 NO4)

Compound Name

1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene

IUPAC name

1-{[4-(benzyloxy)phenoxy]methyl}-4-nitrobenzene

SMILES

[O-][N+](c1ccc(COc(cc2)ccc2OCc2ccccc2)cc1)=O

InChI

InChI=1S/C20H17NO4/c22-21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(11-13-20)24-14-16-4-2-1-3-5-16/h1-13H,14-15H2

InChI Key

RLNOVFPFKWIXID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-5.10

Polar Surface Area

48.075

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8005-4241 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-4241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4241?
Check Price and Availability of 8005-4241, 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 8005-4241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4241
  • 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 8005-4241 available by request