8012-8851 Screening compound: methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

8012-8851 Screening compound: methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
8012-8851 Screening compound: methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8851
methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

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

8012-8851

Molecular Formula

C30H24N2O2S2 (C30 H24 N2 O2 S2)

Compound Name

methyl 3'-(4-methylphenyl)-3,3-diphenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

IUPAC name

methyl 3'-(4-methylphenyl)-33-diphenyl-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazole]-5'-carboxylate

SMILES

Cc(cc1)ccc1N1N=C(C(OC)=O)SC1(c1c2cccc1)SC2(c1ccccc1)c1ccccc1

InChI

InChI=1S/C30H24N2O2S2/c1-21-17-19-24(20-18-21)32-30(35-27(31-32)28(33)34-2)26-16-10-9-15-25(26)29(36-30,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,1-2H3/t30-/m1/s1

InChI Key

ZQOHAVCWWWIXKI-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03307809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.995

Distribution Coefficient, logD

7.995

Water Solubility, LogSw

-5.92

Polar Surface Area

34.322

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

8012-8851 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8012-8851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8851?
Check Price and Availability of 8012-8851, 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 8012-8851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8851
  • 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 8012-8851 available by request