E565-0213 Screening compound: ethyl 1-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate

E565-0213 Screening compound: ethyl 1-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-3-piperidinecarboxylate
E565-0213 Screening compound: ethyl 1-{3-[(3,4-dimethylphenyl)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 E565-0213
ethyl 1-{3-[(3,4-dimethylphenyl)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

E565-0213

Molecular Formula

C23H25N5O4S2 (C23 H25 N5 O4 S2)

Compound Name

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

IUPAC name

ethyl 1-[10-(34-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c(c(scc1)c1n1nn2)nc1c2S(c1cc(C)c(C)cc1)(=O)=O)=O

InChI

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

InChI Key

WBKUZKJLUNXQLR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06744159

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

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.709

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-4.43

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

E565-0213 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E565-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0213?
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What is the minimum amount of E565-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0213
  • 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 E565-0213 available by request