5169-0812 Screening compound: 1-phenyl-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

5169-0812 Screening compound: 1-phenyl-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
5169-0812 Screening compound: 1-phenyl-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 5169-0812
1-phenyl-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

5169-0812

Molecular Formula

C30H25N5O4 (C30 H25 N5 O4)

Compound Name

1-phenyl-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

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

SMILES

C/C(/c1ccccc1)=N/OCc1nn(cnc2c3c(-c(cc4)ccc4OC)c(-c(cc4)ccc4OC)o2)c3n1

InChI

InChI=1S/C30H25N5O4/c1-19(20-7-5-4-6-8-20)34-38-17-25-32-29-27-26(21-9-13-23(36-2)14-10-21)28(22-11-15-24(37-3)16-12-22)39-30(27)31-18-35(29)33-25/h4-16,18H,17H2,1-3H3

InChI Key

IYFWRMRTAFOTLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.56

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

6.339

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-6.26

Polar Surface Area

73.448

Acid Dissociation Constant (pKa)

25.17

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5169-0812 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5169-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5169-0812?
Check Price and Availability of 5169-0812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5169-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5169-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5169-0812
  • 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 5169-0812 available by request