E565-0196 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(3-methoxybenzyl)amine

E565-0196 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(3-methoxybenzyl)amine
E565-0196 Screening compound: N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(3-methoxybenzyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0196
N-{3-[(3,4-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(3-methoxybenzyl)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

E565-0196

Molecular Formula

C23H21N5O3S2 (C23 H21 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-(3-methoxybenzyl)amine

IUPAC name

10-(34-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c2c3scc2)c1nc3NCc1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C23H21N5O3S2/c1-14-7-8-18(11-15(14)2)33(29,30)23-22-25-21(20-19(9-10-32-20)28(22)27-26-23)24-13-16-5-4-6-17(12-16)31-3/h4-12H,13H2,1-3H3,(H,24,25)

InChI Key

PSIDPJFLXWNDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.78

Polar Surface Area

81.179

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

-8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E565-0196 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 E565-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0196?
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What is the minimum amount of E565-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0196
  • 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 E565-0196 available by request