E551-0207 Screening compound: N-[2-(6-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide

E551-0207 Screening compound: N-[2-(6-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide
E551-0207 Screening compound: N-[2-(6-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0207
N-[2-(6-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-methylbenzene-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

E551-0207

Molecular Formula

C21H20ClN5O2S2 (C21 H20 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCc(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C21H20ClN5O2S2/c1-15-6-8-17(9-7-15)31(28,29)23-13-12-20-25-24-19-10-11-21(26-27(19)20)30-14-16-4-2-3-5-18(16)22/h2-11,23H,12-14H2,1H3

InChI Key

VWAYFBAGDAOCTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.30

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

19.00

References: we are preparing a list of scientific research reports with E551-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0207?
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What is the minimum amount of E551-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0207
  • 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 E551-0207 available by request