4072-2820 Screening compound: 2-(2-bromophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2820 Screening compound: 2-(2-bromophenyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2820 Screening compound: 2-(2-bromophenyl)-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 4072-2820
2-(2-bromophenyl)-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

4072-2820

Molecular Formula

C27H19BrN4O3 (C27 H19 BrN4 O3)

Compound Name

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

IUPAC name

4-(2-bromophenyl)-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(cccc3)c3Br)nn1cn2

InChI

InChI=1S/C27H19BrN4O3/c1-33-18-11-7-16(8-12-18)22-23-26-30-25(20-5-3-4-6-21(20)28)31-32(26)15-29-27(23)35-24(22)17-9-13-19(34-2)14-10-17/h3-15H,1-2H3

InChI Key

DXQMNFNPMMKGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.38

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

6.255

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-6.09

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

4072-2820 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4072-2820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2820?
Check Price and Availability of 4072-2820, 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 4072-2820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2820
  • 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 4072-2820 available by request