E565-0109 Screening compound: N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(6),3,7,9,11-pentaen-7-amine

E565-0109 Screening compound: N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(6),3,7,9,11-pentaen-7-amine
E565-0109 Screening compound: N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(6),3,7,9,11-pentaen-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0109
N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(6),3,7,9,11-pentaen-7-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

E565-0109

Molecular Formula

C22H19N5O3S2 (C22 H19 N5 O3 S2)

Compound Name

N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-1,8,11,12-tetraazatricyclo[7.3.0.0²,⁶]dodeca-2(6),3,7,9,11-pentaen-7-amine

IUPAC name

N-[(3-methoxyphenyl)methyl]-10-(4-methylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc(cc1)ccc1S(c(nnn1c2c3scc2)c1nc3NCc1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C22H19N5O3S2/c1-14-6-8-17(9-7-14)32(28,29)22-21-24-20(19-18(10-11-31-19)27(21)26-25-22)23-13-15-4-3-5-16(12-15)30-2/h3-12H,13H2,1-2H3,(H,23,24)

InChI Key

DGKBNNFRQOPONG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898760

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

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.41

Polar Surface Area

81.179

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E565-0109 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E565-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0109?
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What is the minimum amount of E565-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0109
  • 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 E565-0109 available by request