E551-0188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

E551-0188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide
E551-0188 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0188
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

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

E551-0188

Molecular Formula

C26H30N6O5S2 (C26 H30 N6 O5 S2)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)acetamide

SMILES

Cc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCC(NCCc(cc1)cc(OC)c1OC)=O)(=O)=O

InChI

InChI=1S/C26H30N6O5S2/c1-18-4-7-20(8-5-18)39(34,35)28-15-13-24-30-29-23-10-11-26(31-32(23)24)38-17-25(33)27-14-12-19-6-9-21(36-2)22(16-19)37-3/h4-11,16,28H,12-15,17H2,1-3H3,(H,27,33)

InChI Key

BTYUUASEEUIVHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-2.89

Polar Surface Area

113.908

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E551-0188 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E551-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0188?
Check Price and Availability of E551-0188, 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 E551-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0188
  • 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 E551-0188 available by request