E565-0842 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-[3-(trifluoromethyl)phenyl]amine

E565-0842 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-[3-(trifluoromethyl)phenyl]amine
E565-0842 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-[3-(trifluoromethyl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0842
N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-[3-(trifluoromethyl)phenyl]amine

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

E565-0842

Molecular Formula

C20H11BrF3N5O2S2 (C20 H11 BrF3 N5 O2 S2)

Compound Name

N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-[3-(trifluoromethyl)phenyl]amine

IUPAC name

10-(4-bromobenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

O=S(c(nnn1c2c3scc2)c1nc3Nc1cc(C(F)(F)F)ccc1)(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H11BrF3N5O2S2/c21-12-4-6-14(7-5-12)33(30,31)19-18-26-17(16-15(8-9-32-16)29(18)28-27-19)25-13-3-1-2-11(10-13)20(22,23)24/h1-10H,(H,25,26)

InChI Key

KWIIKVJNDMCIIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.293

Distribution Coefficient, logD

6.293

Water Solubility, LogSw

-6.39

Polar Surface Area

72.313

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

E565-0842 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E565-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0842?
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What is the minimum amount of E565-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0842
  • 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 E565-0842 available by request