4072-2836 Screening compound: 2-(2,4-dichlorophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2836 Screening compound: 2-(2,4-dichlorophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2836 Screening compound: 2-(2,4-dichlorophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2836
2-(2,4-dichlorophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

4072-2836

Molecular Formula

C27H18Cl2N4O3 (C27 H18 Cl2 N4 O3)

Compound Name

2-(2,4-dichlorophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-(24-dichlorophenyl)-1112-bis(4-methoxyphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc2c1c1nc(-c(ccc(Cl)c3)c3Cl)nn1cn2

InChI

InChI=1S/C27H18Cl2N4O3/c1-34-18-8-3-15(4-9-18)22-23-26-31-25(20-12-7-17(28)13-21(20)29)32-33(26)14-30-27(23)36-24(22)16-5-10-19(35-2)11-6-16/h3-14H,1-2H3

InChI Key

UZNCGUQKHLLKNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.123

Distribution Coefficient, logD

7.120

Water Solubility, LogSw

-6.99

Polar Surface Area

53.258

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

4072-2836 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4072-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2836?
Check Price and Availability of 4072-2836, 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 4072-2836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2836
  • 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 4072-2836 available by request