8009-7668 Screening compound: 1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

8009-7668 Screening compound: 1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
8009-7668 Screening compound: 1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7668
1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-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

8009-7668

Molecular Formula

C32H28N2OS2 (C32 H28 N2 OS2)

Compound Name

1-[3,3,3'-tris(2-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

IUPAC name

1-[333'-tris(2-methylphenyl)-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazol]-5'-yl]ethan-1-one

SMILES

CC(C(SC1(c2c3cccc2)SC3(c2c(C)cccc2)c2c(C)cccc2)=NN1c1c(C)cccc1)=O

InChI

InChI=1S/C32H28N2OS2/c1-21-13-5-8-16-25(21)31(26-17-9-6-14-22(26)2)27-18-10-11-19-28(27)32(37-31)34(33-30(36-32)24(4)35)29-20-12-7-15-23(29)3/h5-20H,1-4H3/t32-/m1/s1

InChI Key

ORZFMONVWJDEIO-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD01575676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.715

Distribution Coefficient, logD

8.715

Water Solubility, LogSw

-5.91

Polar Surface Area

26.674

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8009-7668 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8009-7668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7668?
Check Price and Availability of 8009-7668, 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 8009-7668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7668
  • 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 8009-7668 available by request