0781-2526 Screening compound: 1-phenyl-5-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole

0781-2526 Screening compound: 1-phenyl-5-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole
0781-2526 Screening compound: 1-phenyl-5-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2526
1-phenyl-5-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole

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

0781-2526

Molecular Formula

C16H14N8S2 (C16 H14 N8 S2)

Compound Name

1-phenyl-5-({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-phenyl-5-({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}sulfanyl)-1H-1234-tetrazole

SMILES

C(CSc1nnnn1-c1ccccc1)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C16H14N8S2/c1-3-7-13(8-4-1)23-15(17-19-21-23)25-11-12-26-16-18-20-22-24(16)14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

VCQBHLKBLAFHEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00476646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.05

Polar Surface Area

79.811

Acid Dissociation Constant (pKa)

25.93

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0781-2526 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0781-2526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2526?
Check Price and Availability of 0781-2526, 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 0781-2526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2526
  • 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 0781-2526 available by request