8008-8767 Screening compound: 1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

8008-8767 Screening compound: 1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-methylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
8008-8767 Screening compound: 1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-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 8008-8767
1-[3'-(3-chloro-2-methylphenyl)-3,3-bis(4-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

8008-8767

Molecular Formula

C32H27ClN2OS2 (C32 H27 ClN2 OS2)

Compound Name

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

IUPAC name

1-[3'-(3-chloro-2-methylphenyl)-33-bis(4-methylphenyl)-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazol]-5'-yl]ethan-1-one

SMILES

CC(C(SC1(c2c3cccc2)SC3(c2ccc(C)cc2)c2ccc(C)cc2)=NN1c1cccc(Cl)c1C)=O

InChI

InChI=1S/C32H27ClN2OS2/c1-20-12-16-24(17-13-20)31(25-18-14-21(2)15-19-25)26-8-5-6-9-27(26)32(38-31)35(34-30(37-32)23(4)36)29-11-7-10-28(33)22(29)3/h5-19H,1-4H3/t32-/m1/s1

InChI Key

SGMFDAJGTALBNT-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD01204185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.16

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

9.509

Distribution Coefficient, logD

9.509

Water Solubility, LogSw

-6.40

Polar Surface Area

26.674

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8008-8767 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8008-8767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8767?
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What is the minimum amount of 8008-8767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8767
  • 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 8008-8767 available by request