8012-3405 Screening compound: 1,3-bis[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-one

8012-3405 Screening compound: 1,3-bis[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-one
8012-3405 Screening compound: 1,3-bis[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3405
1,3-bis[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-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

8012-3405

Molecular Formula

C17H14N8OS2 (C17 H14 N8 OS2)

Compound Name

1,3-bis[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-one

IUPAC name

13-bis[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]propan-2-one

SMILES

O=C(CSc1nnnn1-c1ccccc1)CSc1nnnn1-c1ccccc1

InChI

InChI=1S/C17H14N8OS2/c26-15(11-27-16-18-20-22-24(16)13-7-3-1-4-8-13)12-28-17-19-21-23-25(17)14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

MQAHFEOVZUIKIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-2.98

Polar Surface Area

92.566

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8012-3405 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-3405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3405?
Check Price and Availability of 8012-3405, 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 8012-3405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3405
  • 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 8012-3405 available by request