7575-0365 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one

7575-0365 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one
7575-0365 Screening compound: 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7575-0365
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one

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

7575-0365

Molecular Formula

C26H18N4O4S (C26 H18 N4 O4 S)

Compound Name

2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one

IUPAC name

2-[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]-1-[5-(4-nitrophenyl)furan-2-yl]ethan-1-one

SMILES

[O-][N+](c(cc1)ccc1-c1ccc(C(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)o1)=O

InChI

InChI=1S/C26H18N4O4S/c31-22(24-16-15-23(34-24)18-11-13-21(14-12-18)30(32)33)17-35-26-28-27-25(19-7-3-1-4-8-19)29(26)20-9-5-2-6-10-20/h1-16H,17H2

InChI Key

DCYOQXNSECTTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.940

Distribution Coefficient, logD

5.940

Water Solubility, LogSw

-6.08

Polar Surface Area

79.740

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

7575-0365 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 7575-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7575-0365?
Check Price and Availability of 7575-0365, 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 7575-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7575-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7575-0365
  • 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 7575-0365 available by request