E565-0804 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine

E565-0804 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine
E565-0804 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0804
N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)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

E565-0804

Molecular Formula

C21H16BrN5O2S2 (C21 H16 BrN5 O2 S2)

Compound Name

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

IUPAC name

10-(4-bromobenzenesulfonyl)-N-(1-phenylethyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CC(c1ccccc1)Nc(c(scc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C21H16BrN5O2S2/c1-13(14-5-3-2-4-6-14)23-19-18-17(11-12-30-18)27-20(24-19)21(25-26-27)31(28,29)16-9-7-15(22)8-10-16/h2-13H,1H3,(H,23,24)/t13-/m0/s1

InChI Key

HXLUUJDQURXJTC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08568816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.43

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

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.44

Polar Surface Area

72.798

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

E565-0804 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E565-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0804?
Check Price and Availability of E565-0804, 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 E565-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0804
  • 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 E565-0804 available by request