E950-0085 Screening compound: 4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}morpholine

E950-0085 Screening compound: 4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}morpholine
E950-0085 Screening compound: 4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0085
4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}morpholine

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

E950-0085

Molecular Formula

C16H15N3O2 (C16 H15 N3 O2)

Compound Name

4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}morpholine

IUPAC name

4-{1H-pyrrolo[32-h]quinoline-2-carbonyl}morpholine

SMILES

O=C(c1cc(ccc2cccnc22)c2[nH]1)N1CCOCC1

InChI

InChI=1S/C16H15N3O2/c20-16(19-6-8-21-9-7-19)13-10-12-4-3-11-2-1-5-17-14(11)15(12)18-13/h1-5,10,18H,6-9H2

InChI Key

JESPHARKTCCRIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-2.37

Polar Surface Area

44.448

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E950-0085 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • GPCR
Structure:
  • Fragments
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E950-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0085?
Check Price and Availability of E950-0085, 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 E950-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0085
  • 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 E950-0085 available by request