E565-0474 Screening compound: ethyl 1-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate

E565-0474 Screening compound: ethyl 1-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate
E565-0474 Screening compound: ethyl 1-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0474
ethyl 1-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate

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

E565-0474

Molecular Formula

C23H25N5O4S2 (C23 H25 N5 O4 S2)

Compound Name

ethyl 1-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate

IUPAC name

ethyl 1-[10-(4-ethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-yl]piperidine-3-carboxylate

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3N(CCC1)CC1C(OCC)=O)(=O)=O

InChI

InChI=1S/C23H25N5O4S2/c1-3-15-7-9-17(10-8-15)34(30,31)22-21-24-20(19-18(11-13-33-19)28(21)26-25-22)27-12-5-6-16(14-27)23(29)32-4-2/h7-11,13,16H,3-6,12,14H2,1-2H3/t16-/m0/s1

InChI Key

OTSNDYMZIPQJJH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14898847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.37

Polar Surface Area

86.834

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E565-0474 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E565-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0474?
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What is the minimum amount of E565-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0474
  • 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 E565-0474 available by request