E551-0138 Screening compound: N-(2,3-dimethylphenyl)-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide

E551-0138 Screening compound: N-(2,3-dimethylphenyl)-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}sulfanyl)acetamide
E551-0138 Screening compound: N-(2,3-dimethylphenyl)-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 E551-0138
N-(2,3-dimethylphenyl)-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

E551-0138

Molecular Formula

C24H26N6O3S2 (C24 H26 N6 O3 S2)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-({3-[2-(4-methylbenzenesulfonamido)ethyl]-[124]triazolo[43-b]pyridazin-6-yl}sulfanyl)acetamide

SMILES

Cc(cc1)ccc1S(NCCc1nnc(cc2)n1nc2SCC(Nc1c(C)c(C)ccc1)=O)(=O)=O

InChI

InChI=1S/C24H26N6O3S2/c1-16-7-9-19(10-8-16)35(32,33)25-14-13-22-28-27-21-11-12-24(29-30(21)22)34-15-23(31)26-20-6-4-5-17(2)18(20)3/h4-12,25H,13-15H2,1-3H3,(H,26,31)

InChI Key

VBVSBMRQCFFGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.71

Polar Surface Area

96.786

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E551-0138 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 E551-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0138?
Check Price and Availability of E551-0138, 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 E551-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0138
  • 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 E551-0138 available by request