V009-5436 Screening compound: 3'-cyclopentanecarbonyl-5',5'-dimethyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-2-one

V009-5436 Screening compound: 3'-cyclopentanecarbonyl-5',5'-dimethyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-2-one
V009-5436 Screening compound: 3'-cyclopentanecarbonyl-5',5'-dimethyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5436
3'-cyclopentanecarbonyl-5',5'-dimethyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-2-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

V009-5436

Molecular Formula

C26H30N2O2S (C26 H30 N2 O2 S)

Compound Name

3'-cyclopentanecarbonyl-5',5'-dimethyl-1-[(2-methylphenyl)methyl]-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-2-one

IUPAC name

3'-cyclopentanecarbonyl-5'5'-dimethyl-1-[(2-methylphenyl)methyl]-12-dihydrospiro[indole-32'-[13]thiazolidin]-2-one

SMILES

CC(C)(C1)SC(c(cccc2)c2N2Cc3c(C)cccc3)(C2=O)N1C(C1CCCC1)=O

InChI

InChI=1S/C26H30N2O2S/c1-18-10-4-5-13-20(18)16-27-22-15-9-8-14-21(22)26(24(27)30)28(17-25(2,3)31-26)23(29)19-11-6-7-12-19/h4-5,8-10,13-15,19H,6-7,11-12,16-17H2,1-3H3/t26-/m0/s1

InChI Key

QCSNSWSYLBVZFR-SANMLTNESA-N

MDL Number (MFCD)

MFCD19870319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.228

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-5.42

Polar Surface Area

32.071

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V009-5436 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-5436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5436?
Check Price and Availability of V009-5436, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-5436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5436
  • 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 V009-5436 available by request