E565-0687 Screening compound: N-(3,5-dimethoxyphenyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine

E565-0687 Screening compound: N-(3,5-dimethoxyphenyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine
E565-0687 Screening compound: N-(3,5-dimethoxyphenyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0687
N-(3,5-dimethoxyphenyl)-N-{3-[(2,5-dimethylphenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}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

E565-0687

Molecular Formula

C23H21N5O4S2 (C23 H21 N5 O4 S2)

Compound Name

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

IUPAC name

N-(35-dimethoxyphenyl)-10-(25-dimethylbenzenesulfonyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

Cc1cc(S(c(nnn2c3c4scc3)c2nc4Nc2cc(OC)cc(OC)c2)(=O)=O)c(C)cc1

InChI

InChI=1S/C23H21N5O4S2/c1-13-5-6-14(2)19(9-13)34(29,30)23-22-25-21(20-18(7-8-33-20)28(22)27-26-23)24-15-10-16(31-3)12-17(11-15)32-4/h5-12H,1-4H3,(H,24,25)

InChI Key

JBUWGJOJGLLBST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.155

Water Solubility, LogSw

-5.07

Polar Surface Area

87.401

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E565-0687 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E565-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0687?
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What is the minimum amount of E565-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0687
  • 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 E565-0687 available by request