8010-3590 Screening compound: 1-[3'-(4-chlorophenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

8010-3590 Screening compound: 1-[3'-(4-chlorophenyl)-3,3-bis(4-ethylphenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
8010-3590 Screening compound: 1-[3'-(4-chlorophenyl)-3,3-bis(4-ethylphenyl)-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 8010-3590
1-[3'-(4-chlorophenyl)-3,3-bis(4-ethylphenyl)-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

8010-3590

Molecular Formula

C33H29ClN2OS2 (C33 H29 ClN2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(c2c3cccc2)(c2ccc(CC)cc2)SC32SC(C(C)=O)=NN2c(cc2)ccc2Cl)cc1

InChI

InChI=1S/C33H29ClN2OS2/c1-4-23-10-14-25(15-11-23)32(26-16-12-24(5-2)13-17-26)29-8-6-7-9-30(29)33(39-32)36(35-31(38-33)22(3)37)28-20-18-27(34)19-21-28/h6-21H,4-5H2,1-3H3/t33-/m1/s1

InChI Key

ADFLZCOHNMXGMY-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD01575648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.058

Distribution Coefficient, logD

10.058

Water Solubility, LogSw

-6.42

Polar Surface Area

26.975

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.20

8010-3590 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 8010-3590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3590?
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What is the minimum amount of 8010-3590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3590
  • 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 8010-3590 available by request