E551-0010 Screening compound: ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate

E551-0010 Screening compound: ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate
E551-0010 Screening compound: ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0010
ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate

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

E551-0010

Molecular Formula

C22H27N7O5S2 (C22 H27 N7 O5 S2)

Compound Name

ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}acetyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CSc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)=O)=O

InChI

InChI=1S/C22H27N7O5S2/c1-2-34-22(31)28-14-12-27(13-15-28)21(30)16-35-20-9-8-18-24-25-19(29(18)26-20)10-11-23-36(32,33)17-6-4-3-5-7-17/h3-9,23H,2,10-16H2,1H3

InChI Key

VROQPZWBWMDLPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.63

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-2.40

Polar Surface Area

113.507

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with E551-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0010?
Check Price and Availability of E551-0010, 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 E551-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0010
  • 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 E551-0010 available by request