E019-0827 Screening compound: N~1~-{3-[benzyl(isopropyl)amino]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0827 Screening compound: N~1~-{3-[benzyl(isopropyl)amino]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0827 Screening compound: N~1~-{3-[benzyl(isopropyl)amino]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0827
N~1~-{3-[benzyl(isopropyl)amino]propyl}-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

E019-0827

Molecular Formula

C28H34N4O2S (C28 H34 N4 O2 S)

Compound Name

N~1~-{3-[benzyl(isopropyl)amino]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

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

SMILES

CCC(C(NCCCN(Cc1ccccc1)C(C)C)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C28H34N4O2S/c1-5-23(27(33)29-16-11-17-31(19(2)3)18-21-12-7-6-8-13-21)32-28(34)25-22-14-9-10-15-24(22)35-26(25)20(4)30-32/h6-10,12-15,19,23H,5,11,16-18H2,1-4H3,(H,29,33)/t23-/m0/s1

InChI Key

QFAWCSXGAKQRFM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14839820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-5.38

Polar Surface Area

53.628

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

E019-0827 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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 E019-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0827?
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What is the minimum amount of E019-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0827
  • 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 E019-0827 available by request