V029-0348 Screening compound: 3-CHLORO-N-{2-[3-(2,4-DIFLUOROPHENYL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-2,2-DIMETHYLPROPANAMIDE

V029-0348 Screening compound: 3-CHLORO-N-{2-[3-(2,4-DIFLUOROPHENYL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-2,2-DIMETHYLPROPANAMIDE
V029-0348 Screening compound: 3-CHLORO-N-{2-[3-(2,4-DIFLUOROPHENYL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-2,2-DIMETHYLPROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0348
3-CHLORO-N-{2-[3-(2,4-DIFLUOROPHENYL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-2,2-DIMETHYLPROPANAMIDE

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

V029-0348

Molecular Formula

C20H19ClF2N2O2S (C20 H19 ClF2 N2 O2 S)

Compound Name

3-CHLORO-N-{2-[3-(2,4-DIFLUOROPHENYL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-2,2-DIMETHYLPROPANAMIDE

IUPAC name

3-chloro-N-{2-[3-(24-difluorophenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-22-dimethylpropanamide

SMILES

CC(C)(CCl)C(Nc1c(C(N2c(ccc(F)c3)c3F)SCC2=O)cccc1)=O

InChI

InChI=1S/C20H19ClF2N2O2S/c1-20(2,11-21)19(27)24-15-6-4-3-5-13(15)18-25(17(26)10-28-18)16-8-7-12(22)9-14(16)23/h3-9,18H,10-11H2,1-2H3,(H,24,27)/t18-/m0/s1

InChI Key

JKAVNNIBITVXLP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19861542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.19

Polar Surface Area

38.497

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V029-0348 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0348?
Check Price and Availability of V029-0348, 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 V029-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0348
  • 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 V029-0348 available by request