E565-0117 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0117 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0117 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0117
N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}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

E565-0117

Molecular Formula

C22H17N5O4S2 (C22 H17 N5 O4 S2)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C22H17N5O4S2/c1-13-2-5-15(6-3-13)33(28,29)22-21-24-20(19-16(8-9-32-19)27(21)26-25-22)23-11-14-4-7-17-18(10-14)31-12-30-17/h2-10H,11-12H2,1H3,(H,23,24)

InChI Key

VXOIIEGRKCFRHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.35

Polar Surface Area

90.751

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

E565-0117 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E565-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0117?
Check Price and Availability of E565-0117, 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 E565-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0117
  • 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 E565-0117 available by request