E565-0963 Screening compound: 3-[(4-ethylphenyl)sulfonyl]-5-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

E565-0963 Screening compound: 3-[(4-ethylphenyl)sulfonyl]-5-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
E565-0963 Screening compound: 3-[(4-ethylphenyl)sulfonyl]-5-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0963
3-[(4-ethylphenyl)sulfonyl]-5-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

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

E565-0963

Molecular Formula

C26H23N5O2S2 (C26 H23 N5 O2 S2)

Compound Name

3-[(4-ethylphenyl)sulfonyl]-5-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine

IUPAC name

10-(4-ethylbenzenesulfonyl)-7-(4-phenyl-1236-tetrahydropyridin-1-yl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CCc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3N(CC1)CC=C1c1ccccc1)(=O)=O

InChI

InChI=1S/C26H23N5O2S2/c1-2-18-8-10-21(11-9-18)35(32,33)26-25-27-24(23-22(14-17-34-23)31(25)29-28-26)30-15-12-20(13-16-30)19-6-4-3-5-7-19/h3-12,14,17H,2,13,15-16H2,1H3

InChI Key

CNOAPMDMZOAGHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.337

Distribution Coefficient, logD

6.337

Water Solubility, LogSw

-5.72

Polar Surface Area

65.875

Acid Dissociation Constant (pKa)

22.42

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E565-0963 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0963?
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What is the minimum amount of E565-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0963
  • 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 E565-0963 available by request