E565-0615 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-phenethylamine

E565-0615 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-phenethylamine
E565-0615 Screening compound: N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0615
N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-phenethylamine

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

E565-0615

Molecular Formula

C23H21N5O2S2 (C23 H21 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4NCCc2ccccc2)(=O)=O)c(C)cc1

InChI

InChI=1S/C23H21N5O2S2/c1-15-8-9-16(2)19(14-15)32(29,30)23-22-25-21(24-12-10-17-6-4-3-5-7-17)20-18(11-13-31-20)28(22)27-26-23/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,25)

InChI Key

NQCDANBJAVNUFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.943

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-4.63

Polar Surface Area

73.477

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E565-0615 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0615?
Check Price and Availability of E565-0615, 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 E565-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0615
  • 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 E565-0615 available by request