E565-0806 Screening compound: N-benzyl-N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-ethylamine

E565-0806 Screening compound: N-benzyl-N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-ethylamine
E565-0806 Screening compound: N-benzyl-N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-ethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0806
N-benzyl-N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-ethylamine

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

E565-0806

Molecular Formula

C22H18BrN5O2S2 (C22 H18 BrN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1ccccc1)c(c(scc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C22H18BrN5O2S2/c1-2-27(14-15-6-4-3-5-7-15)20-19-18(12-13-31-19)28-21(24-20)22(25-26-28)32(29,30)17-10-8-16(23)9-11-17/h3-13H,2,14H2,1H3

InChI Key

XEMYHQOJDJQOPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.54

Polar Surface Area

65.434

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E565-0806 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with E565-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0806?
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What is the minimum amount of E565-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0806
  • 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 E565-0806 available by request