8009-7669 Screening compound: 5'-benzoyl-3,3-bis(4-chlorophenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]

8009-7669 Screening compound: 5'-benzoyl-3,3-bis(4-chlorophenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]
8009-7669 Screening compound: 5'-benzoyl-3,3-bis(4-chlorophenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7669
5'-benzoyl-3,3-bis(4-chlorophenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]

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

8009-7669

Molecular Formula

C34H22Cl2N2OS2 (C34 H22 Cl2 N2 OS2)

Compound Name

5'-benzoyl-3,3-bis(4-chlorophenyl)-3'-phenyl-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]

IUPAC name

5'-benzoyl-33-bis(4-chlorophenyl)-3'-phenyl-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazole]

SMILES

O=C(C(SC1(c2c3cccc2)SC3(c(cc2)ccc2Cl)c(cc2)ccc2Cl)=NN1c1ccccc1)c1ccccc1

InChI

InChI=1S/C34H22Cl2N2OS2/c35-26-19-15-24(16-20-26)33(25-17-21-27(36)22-18-25)29-13-7-8-14-30(29)34(41-33)38(28-11-5-2-6-12-28)37-32(40-34)31(39)23-9-3-1-4-10-23/h1-22H/t34-/m1/s1

InChI Key

LDCKBZKFBUGERQ-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD01575623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.6

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

10.246

Distribution Coefficient, logD

10.246

Water Solubility, LogSw

-6.76

Polar Surface Area

26.615

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 8009-7669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7669?
Check Price and Availability of 8009-7669, 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 8009-7669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7669
  • 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 8009-7669 available by request