V017-2883 Screening compound: 1-{2-[4-(benzyloxy)phenyl]-1,3-thiazolidin-3-yl}-3-cyclopentylpropan-1-one

V017-2883 Screening compound: 1-{2-[4-(benzyloxy)phenyl]-1,3-thiazolidin-3-yl}-3-cyclopentylpropan-1-one
V017-2883 Screening compound: 1-{2-[4-(benzyloxy)phenyl]-1,3-thiazolidin-3-yl}-3-cyclopentylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2883
1-{2-[4-(benzyloxy)phenyl]-1,3-thiazolidin-3-yl}-3-cyclopentylpropan-1-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

V017-2883

Molecular Formula

C24H29NO2S (C24 H29 NO2 S)

Compound Name

1-{2-[4-(benzyloxy)phenyl]-1,3-thiazolidin-3-yl}-3-cyclopentylpropan-1-one

IUPAC name

1-{2-[4-(benzyloxy)phenyl]-13-thiazolidin-3-yl}-3-cyclopentylpropan-1-one

SMILES

O=C(CCC1CCCC1)N1C(c(cc2)ccc2OCc2ccccc2)SCC1

InChI

InChI=1S/C24H29NO2S/c26-23(15-10-19-6-4-5-7-19)25-16-17-28-24(25)21-11-13-22(14-12-21)27-18-20-8-2-1-3-9-20/h1-3,8-9,11-14,19,24H,4-7,10,15-18H2/t24-/m0/s1

InChI Key

XXMDLFMVKLOJQV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14245677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.344

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.65

Polar Surface Area

23.935

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

-10.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

V017-2883 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-2883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2883?
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What is the minimum amount of V017-2883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2883
  • 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 V017-2883 available by request