V022-5858 Screening compound: 3-{[5-methyl-2-oxo-3'-(thiophene-2-carbonyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile

V022-5858 Screening compound: 3-{[5-methyl-2-oxo-3'-(thiophene-2-carbonyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile
V022-5858 Screening compound: 3-{[5-methyl-2-oxo-3'-(thiophene-2-carbonyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5858
3-{[5-methyl-2-oxo-3'-(thiophene-2-carbonyl)-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

V022-5858

Molecular Formula

C24H19N3O2S2 (C24 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C23SCCN2C(c2cccs2)=O)c1N(Cc1cc(C#N)ccc1)C3=O

InChI

InChI=1S/C24H19N3O2S2/c1-16-7-8-20-19(12-16)24(27(9-11-31-24)22(28)21-6-3-10-30-21)23(29)26(20)15-18-5-2-4-17(13-18)14-25/h2-8,10,12-13H,9,11,15H2,1H3/t24-/m0/s1

InChI Key

OFFYOAPXWXRXIN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19872361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.34

Polar Surface Area

49.654

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

V022-5858 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V022-5858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5858?
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What is the minimum amount of V022-5858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5858
  • 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 V022-5858 available by request