V021-9403 Screening compound: 3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl}methyl)benzonitrile

V021-9403 Screening compound: 3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl}methyl)benzonitrile
V021-9403 Screening compound: 3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9403
3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl}methyl)benzonitrile

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

V021-9403

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl}methyl)benzonitrile

IUPAC name

3-({3'-cyclopentanecarbonyl-5-methoxy-2-oxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl}methyl)benzonitrile

SMILES

COc(cc1)cc(C23SCCN2C(C2CCCC2)=O)c1N(Cc1cc(C#N)ccc1)C3=O

InChI

InChI=1S/C25H25N3O3S/c1-31-20-9-10-22-21(14-20)25(28(11-12-32-25)23(29)19-7-2-3-8-19)24(30)27(22)16-18-6-4-5-17(13-18)15-26/h4-6,9-10,13-14,19H,2-3,7-8,11-12,16H2,1H3/t25-/m0/s1

InChI Key

UJTVNPGTVMWSML-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19872448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.32

Polar Surface Area

56.738

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V021-9403 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V021-9403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9403?
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What is the minimum amount of V021-9403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9403
  • 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 V021-9403 available by request