E549-0160 Screening compound: 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine

E549-0160 Screening compound: 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine
E549-0160 Screening compound: 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E549-0160
3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}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

E549-0160

Molecular Formula

C21H16N4O2S2 (C21 H16 N4 O2 S2)

Compound Name

3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine

IUPAC name

3-(4-methyl-2-phenyl-13-thiazol-5-yl)-6-{[(4-nitrophenyl)methyl]sulfanyl}pyridazine

SMILES

Cc1c(-c(cc2)nnc2SCc(cc2)ccc2[N+]([O-])=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C21H16N4O2S2/c1-14-20(29-21(22-14)16-5-3-2-4-6-16)18-11-12-19(24-23-18)28-13-15-7-9-17(10-8-15)25(26)27/h2-12H,13H2,1H3

InChI Key

KLNJQTACLFVJEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05960946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-4.98

Polar Surface Area

64.492

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E549-0160 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with E549-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E549-0160?
Check Price and Availability of E549-0160, 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 E549-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E549-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E549-0160
  • 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 E549-0160 available by request