V003-0094 Screening compound: N-{4-[3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

V003-0094 Screening compound: N-{4-[3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide
V003-0094 Screening compound: N-{4-[3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0094
N-{4-[3-(2,4-difluorophenyl)-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

V003-0094

Molecular Formula

C25H22F2N2O2S (C25 H22 F2 N2 O2 S)

Compound Name

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

IUPAC name

N-{4-[3-(24-difluorophenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-2-phenylbutanamide

SMILES

CCC(C(Nc1ccc(C(N2c(ccc(F)c3)c3F)SCC2=O)cc1)=O)c1ccccc1

InChI

InChI=1S/C25H22F2N2O2S/c1-2-20(16-6-4-3-5-7-16)24(31)28-19-11-8-17(9-12-19)25-29(23(30)15-32-25)22-13-10-18(26)14-21(22)27/h3-14,20,25H,2,15H2,1H3,(H,28,31)

InChI Key

NICIKMWQKHSYQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19861530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-4.59

Polar Surface Area

38.923

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

V003-0094 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 V003-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0094?
Check Price and Availability of V003-0094, 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 V003-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0094
  • 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 V003-0094 available by request