4072-2841 Screening compound: 1-(2-thienyl)-1-ethanone O~1~-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime

4072-2841 Screening compound: 1-(2-thienyl)-1-ethanone O~1~-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime
4072-2841 Screening compound: 1-(2-thienyl)-1-ethanone O~1~-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2841
1-(2-thienyl)-1-ethanone O~1~-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime

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

4072-2841

Molecular Formula

C28H23N5O4S (C28 H23 N5 O4 S)

Compound Name

1-(2-thienyl)-1-ethanone O~1~-{[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}oxime

IUPAC name

(E)-{[1112-bis(4-methoxyphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl]methoxy}[1-(thiophen-2-yl)ethylidene]amine

SMILES

C/C(/c1cccs1)=N\OCc1nn(cnc2c3c(-c(cc4)ccc4OC)c(-c(cc4)ccc4OC)o2)c3n1

InChI

InChI=1S/C28H23N5O4S/c1-17(22-5-4-14-38-22)32-36-15-23-30-27-25-24(18-6-10-20(34-2)11-7-18)26(19-8-12-21(35-3)13-9-19)37-28(25)29-16-33(27)31-23/h4-14,16H,15H2,1-3H3

InChI Key

RFPLUXAZVMNLHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04109147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.338

Distribution Coefficient, logD

6.337

Water Solubility, LogSw

-6.09

Polar Surface Area

74.467

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4072-2841 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4072-2841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2841?
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What is the minimum amount of 4072-2841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2841
  • 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 4072-2841 available by request