E547-0159 Screening compound: 3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

E547-0159 Screening compound: 3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine
E547-0159 Screening compound: 3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E547-0159
3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

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

E547-0159

Molecular Formula

C15H11N3O2S2 (C15 H11 N3 O2 S2)

Compound Name

3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

IUPAC name

3-{[(4-nitrophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridazine

SMILES

[O-][N+](c1ccc(CSc(cc2)nnc2-c2cccs2)cc1)=O

InChI

InChI=1S/C15H11N3O2S2/c19-18(20)12-5-3-11(4-6-12)10-22-15-8-7-13(16-17-15)14-2-1-9-21-14/h1-9H,10H2

InChI Key

DDZXAPCIEOEUOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.03

Polar Surface Area

55.199

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E547-0159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E547-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E547-0159?
Check Price and Availability of E547-0159, 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 E547-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E547-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E547-0159
  • 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 E547-0159 available by request