E565-0870 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2,4-dimethoxyphenyl)amine

E565-0870 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2,4-dimethoxyphenyl)amine
E565-0870 Screening compound: N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2,4-dimethoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E565-0870
N-{3-[(4-bromophenyl)sulfonyl]thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl}-N-(2,4-dimethoxyphenyl)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

E565-0870

Molecular Formula

C21H16BrN5O4S2 (C21 H16 BrN5 O4 S2)

Compound Name

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

IUPAC name

10-(4-bromobenzenesulfonyl)-N-(24-dimethoxyphenyl)-5-thia-181112-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)37911-pentaen-7-amine

SMILES

COc(cc1)cc(OC)c1Nc(c(scc1)c1n1nn2)nc1c2S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C21H16BrN5O4S2/c1-30-13-5-8-15(17(11-13)31-2)23-19-18-16(9-10-32-18)27-20(24-19)21(25-26-27)33(28,29)14-6-3-12(22)4-7-14/h3-11H,1-2H3,(H,23,24)

InChI Key

XJFZEAAYGWNHHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.43

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

5.312

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.48

Polar Surface Area

86.790

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E565-0870 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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

References: we are preparing a list of scientific research reports with E565-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E565-0870?
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What is the minimum amount of E565-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E565-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E565-0870
  • 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 E565-0870 available by request