V020-9361 Screening compound: 3-{[5-methyl-3'-(4-methylbenzoyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile

V020-9361 Screening compound: 3-{[5-methyl-3'-(4-methylbenzoyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile
V020-9361 Screening compound: 3-{[5-methyl-3'-(4-methylbenzoyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-9361
3-{[5-methyl-3'-(4-methylbenzoyl)-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

V020-9361

Molecular Formula

C27H23N3O2S (C27 H23 N3 O2 S)

Compound Name

3-{[5-methyl-3'-(4-methylbenzoyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]methyl}benzonitrile

IUPAC name

3-{[5-methyl-3'-(4-methylbenzoyl)-2-oxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl]methyl}benzonitrile

SMILES

Cc(cc1)ccc1C(N1C(c(cc(C)cc2)c2N2Cc3cc(C#N)ccc3)(C2=O)SCC1)=O

InChI

InChI=1S/C27H23N3O2S/c1-18-6-9-22(10-7-18)25(31)30-12-13-33-27(30)23-14-19(2)8-11-24(23)29(26(27)32)17-21-5-3-4-20(15-21)16-28/h3-11,14-15H,12-13,17H2,1-2H3/t27-/m0/s1

InChI Key

WPAPDJVFUMRHJM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19872366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

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

4.885

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.53

Polar Surface Area

48.636

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V020-9361 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V020-9361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-9361?
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What is the minimum amount of V020-9361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-9361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-9361
  • 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 V020-9361 available by request