E565-0827 Screening compound: 3-[(4-bromophenyl)sulfonyl]-5-(4-methylpiperazino)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

E565-0827 Screening compound: 3-[(4-bromophenyl)sulfonyl]-5-(4-methylpiperazino)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
E565-0827 Screening compound: 3-[(4-bromophenyl)sulfonyl]-5-(4-methylpiperazino)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0827
3-[(4-bromophenyl)sulfonyl]-5-(4-methylpiperazino)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

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

E565-0827

Molecular Formula

C18H17BrN6O2S2 (C18 H17 BrN6 O2 S2)

Compound Name

3-[(4-bromophenyl)sulfonyl]-5-(4-methylpiperazino)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

IUPAC name

10-(4-bromobenzenesulfonyl)-7-(4-methylpiperazin-1-yl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CN(CC1)CCN1c(c(scc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C18H17BrN6O2S2/c1-23-7-9-24(10-8-23)16-15-14(6-11-28-15)25-17(20-16)18(21-22-25)29(26,27)13-4-2-12(19)3-5-13/h2-6,11H,7-10H2,1H3

InChI Key

KQWFXRHTVDYQJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.92

Polar Surface Area

69.623

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E565-0827 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E565-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0827?
Check Price and Availability of E565-0827, 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 E565-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0827
  • 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 E565-0827 available by request