8012-6808 Screening compound: 5-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole

8012-6808 Screening compound: 5-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole
8012-6808 Screening compound: 5-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6808
5-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole

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

8012-6808

Molecular Formula

C24H18N4OS (C24 H18 N4 OS)

Compound Name

5-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole

IUPAC name

5-{[(45-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-3-phenyl-124-oxadiazole

SMILES

C(c1nc(-c2ccccc2)no1)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

InChI

InChI=1S/C24H18N4OS/c1-4-10-17(11-5-1)21-22(18-12-6-2-7-13-18)27-24(26-21)30-16-20-25-23(28-29-20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)

InChI Key

ZYBZBOQCAJQDBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.918

Distribution Coefficient, logD

5.909

Water Solubility, LogSw

-6.12

Polar Surface Area

50.619

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8012-6808 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-6808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6808?
Check Price and Availability of 8012-6808, 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 8012-6808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6808
  • 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 8012-6808 available by request