E019-1003 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide

E019-1003 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide
E019-1003 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1003
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]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

E019-1003

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCCCN(CCC1)C1=O)=O)C2=O

InChI

InChI=1S/C22H26N4O3S/c1-15-21-20(16-7-2-3-8-17(16)30-21)22(29)26(24-15)14-4-9-18(27)23-11-6-13-25-12-5-10-19(25)28/h2-3,7-8H,4-6,9-14H2,1H3,(H,23,27)

InChI Key

BXRUCKOKEUJJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.912

Distribution Coefficient, logD

0.912

Water Solubility, LogSw

-2.21

Polar Surface Area

69.190

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E019-1003 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E019-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1003?
Check Price and Availability of E019-1003, 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 E019-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1003
  • 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 E019-1003 available by request