E717-0388 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

E717-0388 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
E717-0388 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E717-0388
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{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

E717-0388

Molecular Formula

C20H15N5O3S (C20 H15 N5 O3 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-{4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide

SMILES

COc(cc1)cc2c1nc(NC(CN(C1=O)N=Cc3c1[nH]c1c3cccc1)=O)s2

InChI

InChI=1S/C20H15N5O3S/c1-28-11-6-7-15-16(8-11)29-20(23-15)24-17(26)10-25-19(27)18-13(9-21-25)12-4-2-3-5-14(12)22-18/h2-9,22H,10H2,1H3,(H,23,24,26)

InChI Key

JGXZMZSESCTDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.40

Polar Surface Area

78.895

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E717-0388 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E717-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E717-0388?
Check Price and Availability of E717-0388, 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 E717-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E717-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E717-0388
  • 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 E717-0388 available by request