E551-0211 Screening compound: 4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide

E551-0211 Screening compound: 4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide
E551-0211 Screening compound: 4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0211
4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide

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

E551-0211

Molecular Formula

C22H20F3N5O2S2 (C22 H20 F3 N5 O2 S2)

Compound Name

4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-{2-[6-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-[124]triazolo[43-b]pyridazin-3-yl]ethyl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCc1ccc(C(F)(F)F)cc1)(=O)=O

InChI

InChI=1S/C22H20F3N5O2S2/c1-15-2-8-18(9-3-15)34(31,32)26-13-12-20-28-27-19-10-11-21(29-30(19)20)33-14-16-4-6-17(7-5-16)22(23,24)25/h2-11,26H,12-14H2,1H3

InChI Key

MYVMWORGPWURBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.16

Polar Surface Area

74.334

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E551-0211 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E551-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0211?
Check Price and Availability of E551-0211, 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 E551-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0211
  • 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 E551-0211 available by request