E902-0076 Screening compound: ethyl 1-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

E902-0076 Screening compound: ethyl 1-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate
E902-0076 Screening compound: ethyl 1-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E902-0076
ethyl 1-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

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

E902-0076

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

ethyl 1-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{8-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CN(C1=O)N=Cc2c1[nH]c1c2cc(C)cc1)=O)=O

InChI

InChI=1S/C21H24N4O4/c1-3-29-21(28)14-5-4-8-24(11-14)18(26)12-25-20(27)19-16(10-22-25)15-9-13(2)6-7-17(15)23-19/h6-7,9-10,14,23H,3-5,8,11-12H2,1-2H3/t14-/m0/s1

InChI Key

RRFPGHQSWAZSKQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14926836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-2.47

Polar Surface Area

75.520

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

E902-0076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E902-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E902-0076?
Check Price and Availability of E902-0076, 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 E902-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E902-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E902-0076
  • 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 E902-0076 available by request