E565-0232 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(4-methoxyphenyl)amine

E565-0232 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(4-methoxyphenyl)amine
E565-0232 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(4-methoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0232
N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(4-methoxyphenyl)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

E565-0232

Molecular Formula

C22H19N5O3S2 (C22 H19 N5 O3 S2)

Compound Name

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

IUPAC name

10-(34-dimethylbenzenesulfonyl)-N-(4-methoxyphenyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c2c3scc2)c1nc3Nc(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C22H19N5O3S2/c1-13-4-9-17(12-14(13)2)32(28,29)22-21-24-20(23-15-5-7-16(30-3)8-6-15)19-18(10-11-31-19)27(21)26-25-22/h4-12H,1-3H3,(H,23,24)

InChI Key

ZEJWNGNCHBHFPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

5.287

Water Solubility, LogSw

-5.45

Polar Surface Area

79.857

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E565-0232 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E565-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0232?
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What is the minimum amount of E565-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0232
  • 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 E565-0232 available by request