E902-0193 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

E902-0193 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide
E902-0193 Screening compound: 2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E902-0193
2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]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

E902-0193

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

IUPAC name

2-{8-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]acetamide

SMILES

Cc(cc1)cc2c1[nH]c1c2C=NN(CC(NCCN(CC2)Cc3c2cccc3)=O)C1=O

InChI

InChI=1S/C24H25N5O2/c1-16-6-7-21-19(12-16)20-13-26-29(24(31)23(20)27-21)15-22(30)25-9-11-28-10-8-17-4-2-3-5-18(17)14-28/h2-7,12-13,27H,8-11,14-15H2,1H3,(H,25,30)

InChI Key

DMPIENDBXZDEEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.273

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.85

Polar Surface Area

66.398

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E902-0193 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E902-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E902-0193?
Check Price and Availability of E902-0193, 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 E902-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E902-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E902-0193
  • 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 E902-0193 available by request