E565-0639 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0639 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0639 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(2,5-dimethylphenyl)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 E565-0639
N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(2,5-dimethylphenyl)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

E565-0639

Molecular Formula

C23H19N5O4S2 (C23 H19 N5 O4 S2)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-N-{3-[(2,5-dimethylphenyl)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-(25-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4NCc(cc2)cc3c2OCO3)(=O)=O)c(C)cc1

InChI

InChI=1S/C23H19N5O4S2/c1-13-3-4-14(2)19(9-13)34(29,30)23-22-25-21(20-16(7-8-33-20)28(22)27-26-23)24-11-15-5-6-17-18(10-15)32-12-31-17/h3-10H,11-12H2,1-2H3,(H,24,25)

InChI Key

LGZWMHWSTLSKKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

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

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.31

Polar Surface Area

90.751

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E565-0639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0639?
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What is the minimum amount of E565-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0639
  • 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 E565-0639 available by request