V013-5101 Screening compound: N-{3-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide

V013-5101 Screening compound: N-{3-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide
V013-5101 Screening compound: N-{3-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5101
N-{3-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide

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

V013-5101

Molecular Formula

C27H27FN2O2S (C27 H27 FN2 O2 S)

Compound Name

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

IUPAC name

N-{3-[3-(4-fluorophenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-4-pentylbenzamide

SMILES

CCCCCc(cc1)ccc1C(Nc1cccc(C(N2c(cc3)ccc3F)SCC2=O)c1)=O

InChI

InChI=1S/C27H27FN2O2S/c1-2-3-4-6-19-9-11-20(12-10-19)26(32)29-23-8-5-7-21(17-23)27-30(25(31)18-33-27)24-15-13-22(28)14-16-24/h5,7-17,27H,2-4,6,18H2,1H3,(H,29,32)/t27-/m0/s1

InChI Key

HZTBJNNQINZBPA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19854771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.732

Distribution Coefficient, logD

6.732

Water Solubility, LogSw

-5.56

Polar Surface Area

39.224

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V013-5101 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 V013-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5101?
Check Price and Availability of V013-5101, 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 V013-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5101
  • 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 V013-5101 available by request