E565-0369 Screening compound: N-{3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine

E565-0369 Screening compound: N-{3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine
E565-0369 Screening compound: N-{3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0369
N-{3-[(4-isopropylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(1-phenylethyl)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

E565-0369

Molecular Formula

C24H23N5O2S2 (C24 H23 N5 O2 S2)

Compound Name

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

IUPAC name

N-(1-phenylethyl)-10-[4-(propan-2-yl)benzenesulfonyl]-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

CC(C)c(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3NC(C)c1ccccc1)(=O)=O

InChI

InChI=1S/C24H23N5O2S2/c1-15(2)17-9-11-19(12-10-17)33(30,31)24-23-26-22(25-16(3)18-7-5-4-6-8-18)21-20(13-14-32-21)29(23)28-27-24/h4-16H,1-3H3,(H,25,26)/t16-/m0/s1

InChI Key

QSRGHZSMZYILTI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14898818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

5.806

Distribution Coefficient, logD

5.806

Water Solubility, LogSw

-5.75

Polar Surface Area

72.798

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

E565-0369 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E565-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0369?
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What is the minimum amount of E565-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0369
  • 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 E565-0369 available by request