V005-1516 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

V005-1516 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide
V005-1516 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1516
N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

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

V005-1516

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

IUPAC name

N-{3-[3-(2H-13-benzodioxol-5-yl)-4-oxo-13-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

SMILES

CCC(C(Nc1cccc(C(N2c(cc3)cc4c3OCO4)SCC2=O)c1)=O)c1ccccc1

InChI

InChI=1S/C26H24N2O4S/c1-2-21(17-7-4-3-5-8-17)25(30)27-19-10-6-9-18(13-19)26-28(24(29)15-33-26)20-11-12-22-23(14-20)32-16-31-22/h3-14,21,26H,2,15-16H2,1H3,(H,27,30)

InChI Key

QRQCWQUXFGYAFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19860435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-4.66

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

V005-1516 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V005-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1516?
Check Price and Availability of V005-1516, 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 V005-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1516
  • 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 V005-1516 available by request