V012-6741 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-tert-butylbenzamide

V012-6741 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-tert-butylbenzamide
V012-6741 Screening compound: N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6741
N-{3-[3-(2H-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-tert-butylbenzamide

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

V012-6741

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cccc(C(N2c(cc3)cc4c3OCO4)SCC2=O)c1)=O

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)19-9-7-17(8-10-19)25(31)28-20-6-4-5-18(13-20)26-29(24(30)15-34-26)21-11-12-22-23(14-21)33-16-32-22/h4-14,26H,15-16H2,1-3H3,(H,28,31)/t26-/m0/s1

InChI Key

PCCMIXDOQORODU-SANMLTNESA-N

MDL Number (MFCD)

MFCD19860437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

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

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-5.56

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V012-6741 in Drug Discovery

Included in Screening Libraries

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 V012-6741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6741?
Check Price and Availability of V012-6741, 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 V012-6741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6741
  • 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 V012-6741 available by request