V004-0580 Screening compound: N-{3-[3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}nonanamide

V004-0580 Screening compound: N-{3-[3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}nonanamide
V004-0580 Screening compound: N-{3-[3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}nonanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0580
N-{3-[3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}nonanamide

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

V004-0580

Molecular Formula

C26H34N2O2S (C26 H34 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCC(Nc1cccc(C(N2c3c(C)cc(C)cc3)SCC2=O)c1)=O

InChI

InChI=1S/C26H34N2O2S/c1-4-5-6-7-8-9-13-24(29)27-22-12-10-11-21(17-22)26-28(25(30)18-31-26)23-15-14-19(2)16-20(23)3/h10-12,14-17,26H,4-9,13,18H2,1-3H3,(H,27,29)/t26-/m0/s1

InChI Key

AHUKAYBNSUTHKY-SANMLTNESA-N

MDL Number (MFCD)

MFCD19856696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.096

Distribution Coefficient, logD

7.096

Water Solubility, LogSw

-5.55

Polar Surface Area

38.981

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V004-0580 in Drug Discovery

Included in Screening Libraries

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 V004-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0580?
Check Price and Availability of V004-0580, 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 V004-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0580
  • 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 V004-0580 available by request