1058-0150 Screening compound: 3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

1058-0150 Screening compound: 3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
1058-0150 Screening compound: 3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1058-0150
3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

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

1058-0150

Molecular Formula

C15H13NO5 (C15 H13 NO5)

Compound Name

3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

IUPAC name

3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

SMILES

COc(cc(C=O)cc1)c1OCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C15H13NO5/c1-20-15-8-12(9-17)4-7-14(15)21-10-11-2-5-13(6-3-11)16(18)19/h2-9H,10H2,1H3

InChI Key

LBZHTZHIZXKRQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.07

Polar Surface Area

62.724

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1058-0150 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1058-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1058-0150?
Check Price and Availability of 1058-0150, 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 1058-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1058-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1058-0150
  • 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 1058-0150 available by request