E019-0759 Screening compound: N~1~-(3-isopropoxypropyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0759 Screening compound: N~1~-(3-isopropoxypropyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0759 Screening compound: N~1~-(3-isopropoxypropyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0759
N~1~-(3-isopropoxypropyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

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

E019-0759

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

N~1~-(3-isopropoxypropyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}-N-[3-(propan-2-yloxy)propyl]butanamide

SMILES

CCC(C(NCCCOC(C)C)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C21H27N3O3S/c1-5-16(20(25)22-11-8-12-27-13(2)3)24-21(26)18-15-9-6-7-10-17(15)28-19(18)14(4)23-24/h6-7,9-10,13,16H,5,8,11-12H2,1-4H3,(H,22,25)/t16-/m0/s1

InChI Key

IKMNSATYPQCZSL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14839796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.09

Polar Surface Area

57.504

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

E019-0759 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E019-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0759?
Check Price and Availability of E019-0759, 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 E019-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0759
  • 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 E019-0759 available by request