V013-8490 Screening compound: 1-[(2,4-DIFLUOROPHENYL)METHYL]-3'-(2-METHOXYACETYL)-5-METHYL-1,2-DIHYDROSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2-ONE

V013-8490 Screening compound: 1-[(2,4-DIFLUOROPHENYL)METHYL]-3'-(2-METHOXYACETYL)-5-METHYL-1,2-DIHYDROSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2-ONE
V013-8490 Screening compound: 1-[(2,4-DIFLUOROPHENYL)METHYL]-3'-(2-METHOXYACETYL)-5-METHYL-1,2-DIHYDROSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8490
1-[(2,4-DIFLUOROPHENYL)METHYL]-3'-(2-METHOXYACETYL)-5-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

V013-8490

Molecular Formula

C21H20F2N2O3S (C21 H20 F2 N2 O3 S)

Compound Name

1-[(2,4-DIFLUOROPHENYL)METHYL]-3'-(2-METHOXYACETYL)-5-METHYL-1,2-DIHYDROSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2-ONE

IUPAC name

n/a

SMILES

Cc(cc1)cc(C23SCCN2C(COC)=O)c1N(Cc(ccc(F)c1)c1F)C3=O

InChI

InChI=1S/C21H20F2N2O3S/c1-13-3-6-18-16(9-13)21(25(7-8-29-21)19(26)12-28-2)20(27)24(18)11-14-4-5-15(22)10-17(14)23/h3-6,9-10H,7-8,11-12H2,1-2H3/t21-/m0/s1

InChI Key

YRUFVAMZJKJNIA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19872339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.46

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

3.330

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.59

Polar Surface Area

39.747

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V013-8490 in Drug Discovery

Included in Screening Libraries

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 V013-8490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8490?
Check Price and Availability of V013-8490, 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 V013-8490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8490
  • 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 V013-8490 available by request