8009-7675 Screening compound: 3'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

8009-7675 Screening compound: 3'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
8009-7675 Screening compound: 3'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7675
3'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

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

8009-7675

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

3'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

3'-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1N(C(c(cccc1)c1N1)(C1=O)SC1)C1=O

InChI

InChI=1S/C21H18N4O3S/c1-13-18(19(27)25(23(13)2)14-8-4-3-5-9-14)24-17(26)12-29-21(24)15-10-6-7-11-16(15)22-20(21)28/h3-11H,12H2,1-2H3,(H,22,28)/t21-/m0/s1

InChI Key

GCKPUOAMETYQMT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01580403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.63

Polar Surface Area

60.911

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

8009-7675 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-7675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7675?
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What is the minimum amount of 8009-7675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7675
  • 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 8009-7675 available by request