E565-0041 Screening compound: ethyl 1-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-4-piperidinecarboxylate

E565-0041 Screening compound: ethyl 1-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-4-piperidinecarboxylate
E565-0041 Screening compound: ethyl 1-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0041
ethyl 1-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-4-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

E565-0041

Molecular Formula

C21H21N5O4S2 (C21 H21 N5 O4 S2)

Compound Name

ethyl 1-[3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-4-piperidinecarboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1c(c(scc1)c1n1nn2)nc1c2S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H21N5O4S2/c1-2-30-21(27)14-8-11-25(12-9-14)18-17-16(10-13-31-17)26-19(22-18)20(23-24-26)32(28,29)15-6-4-3-5-7-15/h3-7,10,13-14H,2,8-9,11-12H2,1H3

InChI Key

AGJCOJYCWWGYKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

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

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.77

Polar Surface Area

86.900

Acid Dissociation Constant (pKa)

21.33

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E565-0041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 E565-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0041?
Check Price and Availability of E565-0041, 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 E565-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0041
  • 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 E565-0041 available by request