E902-0203 Screening compound: 2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

E902-0203 Screening compound: 2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate
E902-0203 Screening compound: 2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E902-0203
2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

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

E902-0203

Molecular Formula

C26H29N5O4 (C26 H29 N5 O4)

Compound Name

2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamido)benzoate

IUPAC name

2-(diethylamino)ethyl 4-(2-{8-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamido)benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(CN(C1=O)N=Cc2c1[nH]c1c2cc(C)cc1)=O)=O

InChI

InChI=1S/C26H29N5O4/c1-4-30(5-2)12-13-35-26(34)18-7-9-19(10-8-18)28-23(32)16-31-25(33)24-21(15-27-31)20-14-17(3)6-11-22(20)29-24/h6-11,14-15,29H,4-5,12-13,16H2,1-3H3,(H,28,32)

InChI Key

LNEGTBJSACCIII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.85

Polar Surface Area

86.049

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E902-0203 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E902-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E902-0203?
Check Price and Availability of E902-0203, 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 E902-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E902-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E902-0203
  • 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 E902-0203 available by request