8011-6997 Screening compound: 2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate

8011-6997 Screening compound: 2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate
8011-6997 Screening compound: 2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6997
2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate

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

8011-6997

Molecular Formula

C13H14ClNO5 (C13 H14 ClNO5)

Compound Name

2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate

IUPAC name

2-chloro-4-formyl-6-methoxyphenyl morpholine-4-carboxylate

SMILES

COc1cc(C=O)cc(Cl)c1OC(N1CCOCC1)=O

InChI

InChI=1S/C13H14ClNO5/c1-18-11-7-9(8-16)6-10(14)12(11)20-13(17)15-2-4-19-5-3-15/h6-8H,2-5H2,1H3

InChI Key

NGDBWJXPRWHXAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-3.20

Polar Surface Area

52.706

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8011-6997 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8011-6997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6997?
Check Price and Availability of 8011-6997, 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 8011-6997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6997
  • 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 8011-6997 available by request