V021-3139 Screening compound: 3'-(CYCLOPENTYLCARBONYL)-1-(3,4-DIFLUOROBENZYL)-5-METHOXYSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2(1{H})-ONE

V021-3139 Screening compound: 3'-(CYCLOPENTYLCARBONYL)-1-(3,4-DIFLUOROBENZYL)-5-METHOXYSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2(1{H})-ONE
V021-3139 Screening compound: 3'-(CYCLOPENTYLCARBONYL)-1-(3,4-DIFLUOROBENZYL)-5-METHOXYSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2(1{H})-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3139
3'-(CYCLOPENTYLCARBONYL)-1-(3,4-DIFLUOROBENZYL)-5-METHOXYSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2(1{H})-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

V021-3139

Molecular Formula

C24H24F2N2O3S (C24 H24 F2 N2 O3 S)

Compound Name

3'-(CYCLOPENTYLCARBONYL)-1-(3,4-DIFLUOROBENZYL)-5-METHOXYSPIRO[INDOLE-3,2'-[1,3]THIAZOLIDIN]-2(1{H})-ONE

IUPAC name

n/a

SMILES

COc(cc1)cc(C23SCCN2C(C2CCCC2)=O)c1N(Cc(cc1)cc(F)c1F)C3=O

InChI

InChI=1S/C24H24F2N2O3S/c1-31-17-7-9-21-18(13-17)24(28(10-11-32-24)22(29)16-4-2-3-5-16)23(30)27(21)14-15-6-8-19(25)20(26)12-15/h6-9,12-13,16H,2-5,10-11,14H2,1H3/t24-/m0/s1

InChI Key

LBGWMIJGEBVKOJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19872432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.53

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

-4.61

Polar Surface Area

39.681

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V021-3139 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3139?
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What is the minimum amount of V021-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3139
  • 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 V021-3139 available by request