E950-0081 Screening compound: 1-(4-methoxyphenyl)-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine

E950-0081 Screening compound: 1-(4-methoxyphenyl)-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine
E950-0081 Screening compound: 1-(4-methoxyphenyl)-4-{1H-pyrrolo[3,2-h]quinoline-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0081
1-(4-methoxyphenyl)-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

E950-0081

Molecular Formula

C23H22N4O2 (C23 H22 N4 O2)

Compound Name

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

IUPAC name

1-(4-methoxyphenyl)-4-{1H-pyrrolo[32-h]quinoline-2-carbonyl}piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c1cc(ccc2cccnc22)c2[nH]1)=O

InChI

InChI=1S/C23H22N4O2/c1-29-19-8-6-18(7-9-19)26-11-13-27(14-12-26)23(28)20-15-17-5-4-16-3-2-10-24-21(16)22(17)25-20/h2-10,15,25H,11-14H2,1H3

InChI Key

CPEMNAHDQHXFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-3.76

Polar Surface Area

47.344

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E950-0081 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E950-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0081?
Check Price and Availability of E950-0081, 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 E950-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0081
  • 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 E950-0081 available by request