E565-0451 Screening compound: N-cycloheptyl-N-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0451 Screening compound: N-cycloheptyl-N-{3-[(4-ethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0451 Screening compound: N-cycloheptyl-N-{3-[(4-ethylphenyl)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 E565-0451
N-cycloheptyl-N-{3-[(4-ethylphenyl)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

E565-0451

Molecular Formula

C22H25N5O2S2 (C22 H25 N5 O2 S2)

Compound Name

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

IUPAC name

N-cycloheptyl-10-(4-ethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3NC1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H25N5O2S2/c1-2-15-9-11-17(12-10-15)31(28,29)22-21-24-20(23-16-7-5-3-4-6-8-16)19-18(13-14-30-19)27(21)26-25-22/h9-14,16H,2-8H2,1H3,(H,23,24)

InChI Key

NUZDOXSCXRBFLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.61

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

5.915

Distribution Coefficient, logD

5.915

Water Solubility, LogSw

-5.45

Polar Surface Area

73.692

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E565-0451 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Therapeutical Diversity Annotated Library (7563 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 E565-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0451?
Check Price and Availability of E565-0451, 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 E565-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0451
  • 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 E565-0451 available by request