8018-3057 Screening compound: 4-(2,4-dinitrophenoxy)-3-ethoxybenzaldehyde

8018-3057 Screening compound: 4-(2,4-dinitrophenoxy)-3-ethoxybenzaldehyde
8018-3057 Screening compound: 4-(2,4-dinitrophenoxy)-3-ethoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3057
4-(2,4-dinitrophenoxy)-3-ethoxybenzaldehyde

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

8018-3057

Molecular Formula

C15H12N2O7 (C15 H12 N2 O7)

Compound Name

4-(2,4-dinitrophenoxy)-3-ethoxybenzaldehyde

IUPAC name

4-(24-dinitrophenoxy)-3-ethoxybenzaldehyde

SMILES

CCOc(cc(C=O)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H12N2O7/c1-2-23-15-7-10(9-18)3-5-14(15)24-13-6-4-11(16(19)20)8-12(13)17(21)22/h3-9H,2H2,1H3

InChI Key

LGWULEGGQGLJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00390939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.27

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.48

Polar Surface Area

94.991

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-3057 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 8018-3057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3057?
Check Price and Availability of 8018-3057, 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 8018-3057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3057
  • 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 8018-3057 available by request