E565-0971 Screening compound: 5-(4-benzylpiperazino)-3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

E565-0971 Screening compound: 5-(4-benzylpiperazino)-3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
E565-0971 Screening compound: 5-(4-benzylpiperazino)-3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0971
5-(4-benzylpiperazino)-3-[(2,5-dimethylphenyl)sulfonyl]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

E565-0971

Molecular Formula

C26H26N6O2S2 (C26 H26 N6 O2 S2)

Compound Name

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

IUPAC name

7-(4-benzylpiperazin-1-yl)-10-(25-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4N2CCN(Cc3ccccc3)CC2)(=O)=O)c(C)cc1

InChI

InChI=1S/C26H26N6O2S2/c1-18-8-9-19(2)22(16-18)36(33,34)26-25-27-24(23-21(10-15-35-23)32(25)29-28-26)31-13-11-30(12-14-31)17-20-6-4-3-5-7-20/h3-10,15-16H,11-14,17H2,1-2H3

InChI Key

BUNJMVCKFFQYPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.033

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.66

Polar Surface Area

69.687

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E565-0971 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0971?
Check Price and Availability of E565-0971, 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 E565-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0971
  • 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 E565-0971 available by request