8018-3053 Screening compound: 4-methoxy-3-[(4-nitrophenoxy)methyl]benzaldehyde

8018-3053 Screening compound: 4-methoxy-3-[(4-nitrophenoxy)methyl]benzaldehyde
8018-3053 Screening compound: 4-methoxy-3-[(4-nitrophenoxy)methyl]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3053
4-methoxy-3-[(4-nitrophenoxy)methyl]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

8018-3053

Molecular Formula

C15H13NO5 (C15 H13 NO5)

Compound Name

4-methoxy-3-[(4-nitrophenoxy)methyl]benzaldehyde

IUPAC name

4-methoxy-3-[(4-nitrophenoxy)methyl]benzaldehyde

SMILES

COc1c(COc(cc2)ccc2[N+]([O-])=O)cc(C=O)cc1

InChI

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

InChI Key

CEIJZCASKXSWHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01114930

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

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.31

Polar Surface Area

62.637

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-3053 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3053?
Check Price and Availability of 8018-3053, 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 8018-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3053
  • 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 8018-3053 available by request