E717-0090 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0090 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0090 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0090
N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

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

E717-0090

Molecular Formula

C27H33N5O2 (C27 H33 N5 O2)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-2-{4-oxo-5-propyl-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

CCCn1c(C(N(CC(NCCCN(CC)Cc2ccccc2)=O)N=C2)=O)c2c2c1cccc2

InChI

InChI=1S/C27H33N5O2/c1-3-16-31-24-14-9-8-13-22(24)23-18-29-32(27(34)26(23)31)20-25(33)28-15-10-17-30(4-2)19-21-11-6-5-7-12-21/h5-9,11-14,18H,3-4,10,15-17,19-20H2,1-2H3,(H,28,33)

InChI Key

SYYKBNZBQGAXOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-3.34

Polar Surface Area

57.321

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E717-0090 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E717-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0090?
Check Price and Availability of E717-0090, 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 E717-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0090
  • 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 E717-0090 available by request