E551-0172 Screening compound: ethyl 2-[2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamido]benzoate

E551-0172 Screening compound: ethyl 2-[2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamido]benzoate
E551-0172 Screening compound: ethyl 2-[2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0172
ethyl 2-[2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamido]benzoate

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

E551-0172

Molecular Formula

C25H26N6O5S2 (C25 H26 N6 O5 S2)

Compound Name

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

IUPAC name

ethyl 2-[2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(cc1)nn2c1nnc2CCNS(c1ccc(C)cc1)(=O)=O)=O)=O

InChI

InChI=1S/C25H26N6O5S2/c1-3-36-25(33)19-6-4-5-7-20(19)27-23(32)16-37-24-13-12-21-28-29-22(31(21)30-24)14-15-26-38(34,35)18-10-8-17(2)9-11-18/h4-13,26H,3,14-16H2,1-2H3,(H,27,32)

InChI Key

OJHMWDOWERKOOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.65

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.67

Polar Surface Area

117.539

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E551-0172 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E551-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0172?
Check Price and Availability of E551-0172, 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 E551-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0172
  • 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 E551-0172 available by request