E902-0101 Screening compound: N-[2-(dipropylamino)ethyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E902-0101 Screening compound: N-[2-(dipropylamino)ethyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E902-0101 Screening compound: N-[2-(dipropylamino)ethyl]-2-{8-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E902-0101
N-[2-(dipropylamino)ethyl]-2-{8-methyl-4-oxo-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

E902-0101

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)CCNC(CN(C1=O)N=Cc2c1[nH]c1c2cc(C)cc1)=O

InChI

InChI=1S/C21H29N5O2/c1-4-9-25(10-5-2)11-8-22-19(27)14-26-21(28)20-17(13-23-26)16-12-15(3)6-7-18(16)24-20/h6-7,12-13,24H,4-5,8-11,14H2,1-3H3,(H,22,27)

InChI Key

NEDNIUCEWMTMQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

0.463

Water Solubility, LogSw

-2.76

Polar Surface Area

66.943

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E902-0101 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E902-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E902-0101?
Check Price and Availability of E902-0101, 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 E902-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E902-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E902-0101
  • 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 E902-0101 available by request