E565-0646 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2-thienylmethyl)amine

E565-0646 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2-thienylmethyl)amine
E565-0646 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2-thienylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0646
N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2-thienylmethyl)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

E565-0646

Molecular Formula

C20H17N5O2S3 (C20 H17 N5 O2 S3)

Compound Name

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

IUPAC name

10-(25-dimethylbenzenesulfonyl)-N-[(thiophen-2-yl)methyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4NCc2cccs2)(=O)=O)c(C)cc1

InChI

InChI=1S/C20H17N5O2S3/c1-12-5-6-13(2)16(10-12)30(26,27)20-19-22-18(21-11-14-4-3-8-28-14)17-15(7-9-29-17)25(19)24-23-20/h3-10H,11H2,1-2H3,(H,21,22)

InChI Key

SEFPJLPOFRMGEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.59

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

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.30

Polar Surface Area

74.654

Acid Dissociation Constant (pKa)

18.57

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E565-0646 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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)

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0646?
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What is the minimum amount of E565-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0646
  • 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 E565-0646 available by request