V016-6652 Screening compound: N-{4-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-1,3-THIAZOLIDIN-2-YL]PHENYL}-4-(TRIFLUOROMETHYL)BENZAMIDE

V016-6652 Screening compound: N-{4-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-1,3-THIAZOLIDIN-2-YL]PHENYL}-4-(TRIFLUOROMETHYL)BENZAMIDE
V016-6652 Screening compound: N-{4-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-1,3-THIAZOLIDIN-2-YL]PHENYL}-4-(TRIFLUOROMETHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6652
N-{4-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-1,3-THIAZOLIDIN-2-YL]PHENYL}-4-(TRIFLUOROMETHYL)BENZAMIDE

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

V016-6652

Molecular Formula

C24H17F3N2O4S (C24 H17 F3 N2 O4 S)

Compound Name

N-{4-[3-(2H-1,3-BENZODIOXOL-5-YL)-4-OXO-1,3-THIAZOLIDIN-2-YL]PHENYL}-4-(TRIFLUOROMETHYL)BENZAMIDE

IUPAC name

n/a

SMILES

O=C(c1ccc(C(F)(F)F)cc1)Nc1ccc(C(N2c(cc3)cc4c3OCO4)SCC2=O)cc1

InChI

InChI=1S/C24H17F3N2O4S/c25-24(26,27)16-5-1-14(2-6-16)22(31)28-17-7-3-15(4-8-17)23-29(21(30)12-34-23)18-9-10-19-20(11-18)33-13-32-19/h1-11,23H,12-13H2,(H,28,31)/t23-/m0/s1

InChI Key

JDWWSRIENBIJIF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19860416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-5.04

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

V016-6652 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6652?
Check Price and Availability of V016-6652, 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 V016-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6652
  • 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 V016-6652 available by request