E565-0883 Screening compound: 5-(1-AZEPANYL)-3-[(3-CHLOROPHENYL)SULFONYL]THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDINE

E565-0883 Screening compound: 5-(1-AZEPANYL)-3-[(3-CHLOROPHENYL)SULFONYL]THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDINE
E565-0883 Screening compound: 5-(1-AZEPANYL)-3-[(3-CHLOROPHENYL)SULFONYL]THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0883
5-(1-AZEPANYL)-3-[(3-CHLOROPHENYL)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

E565-0883

Molecular Formula

C19H18ClN5O2S2 (C19 H18 ClN5 O2 S2)

Compound Name

5-(1-AZEPANYL)-3-[(3-CHLOROPHENYL)SULFONYL]THIENO[2,3-E][1,2,3]TRIAZOLO[1,5-A]PYRIMIDINE

IUPAC name

n/a

SMILES

O=S(c(nnn1c2c3scc2)c1nc3N1CCCCCC1)(c1cccc(Cl)c1)=O

InChI

InChI=1S/C19H18ClN5O2S2/c20-13-6-5-7-14(12-13)29(26,27)19-18-21-17(24-9-3-1-2-4-10-24)16-15(8-11-28-16)25(18)23-22-19/h5-8,11-12H,1-4,9-10H2

InChI Key

NNJGAFRGKAFIDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-5.18

Polar Surface Area

66.478

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E565-0883 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E565-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0883?
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What is the minimum amount of E565-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0883
  • 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 E565-0883 available by request