4072-2826 Screening compound: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2826 Screening compound: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2826 Screening compound: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-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 4072-2826
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-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

4072-2826

Molecular Formula

C29H21N5O4S (C29 H21 N5 O4 S)

Compound Name

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

IUPAC name

4-[(13-benzoxazol-2-ylsulfanyl)methyl]-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(CSc3nc(cccc4)c4o3)nn1cn2

InChI

InChI=1S/C29H21N5O4S/c1-35-19-11-7-17(8-12-19)24-25-27-32-23(15-39-29-31-21-5-3-4-6-22(21)37-29)33-34(27)16-30-28(25)38-26(24)18-9-13-20(36-2)14-10-18/h3-14,16H,15H2,1-2H3

InChI Key

ZFGYKGBESMBREX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03011341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.520

Distribution Coefficient, logD

6.520

Water Solubility, LogSw

-6.28

Polar Surface Area

70.912

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

4072-2826 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Inflammatory Library (24602 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
  • 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 4072-2826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2826?
Check Price and Availability of 4072-2826, 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 4072-2826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2826
  • 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 4072-2826 available by request