8009-7671 Screening compound: [3,3-bis(2-methylphenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone

8009-7671 Screening compound: [3,3-bis(2-methylphenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone
8009-7671 Screening compound: [3,3-bis(2-methylphenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7671
[3,3-bis(2-methylphenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone

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

8009-7671

Molecular Formula

C36H28N2OS2 (C36 H28 N2 OS2)

Compound Name

[3,3-bis(2-methylphenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone

IUPAC name

5'-benzoyl-33-bis(2-methylphenyl)-3'-phenyl-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazole]

SMILES

Cc1c(C(c2c3cccc2)(c2c(C)cccc2)SC32SC(C(c3ccccc3)=O)=NN2c2ccccc2)cccc1

InChI

InChI=1S/C36H28N2OS2/c1-25-15-9-11-21-29(25)35(30-22-12-10-16-26(30)2)31-23-13-14-24-32(31)36(41-35)38(28-19-7-4-8-20-28)37-34(40-36)33(39)27-17-5-3-6-18-27/h3-24H,1-2H3/t36-/m1/s1

InChI Key

KTXQIWSIAGMWKN-PSXMRANNSA-N

MDL Number (MFCD)

MFCD01575670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.757

Distribution Coefficient, logD

9.757

Water Solubility, LogSw

-5.96

Polar Surface Area

26.615

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

8009-7671 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-7671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7671?
Check Price and Availability of 8009-7671, 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 8009-7671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7671
  • 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 8009-7671 available by request