E950-0080 Screening compound: 1-ethyl-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine

E950-0080 Screening compound: 1-ethyl-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine
E950-0080 Screening compound: 1-ethyl-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0080
1-ethyl-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine

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

E950-0080

Molecular Formula

C18H20N4O (C18 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1cc(ccc2cccnc22)c2[nH]1)=O

InChI

InChI=1S/C18H20N4O/c1-2-21-8-10-22(11-9-21)18(23)15-12-14-6-5-13-4-3-7-19-16(13)17(14)20-15/h3-7,12,20H,2,8-11H2,1H3

InChI Key

AEZJSQLQGIOAMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-2.71

Polar Surface Area

40.076

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E950-0080 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)

CNS BBB Library (22607 compounds)

Anti-HIV1 Library (19540 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with E950-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0080?
Check Price and Availability of E950-0080, 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 E950-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0080
  • 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 E950-0080 available by request