V004-5381 Screening compound: N-(4-{3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl}phenyl)-2-ethylhexanamide

V004-5381 Screening compound: N-(4-{3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl}phenyl)-2-ethylhexanamide
V004-5381 Screening compound: N-(4-{3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl}phenyl)-2-ethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5381
N-(4-{3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl}phenyl)-2-ethylhexanamide

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

V004-5381

Molecular Formula

C25H33N3O2S (C25 H33 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(CC)C(Nc1ccc(C(N2c(cc3)ccc3N(C)C)SCC2=O)cc1)=O

InChI

InChI=1S/C25H33N3O2S/c1-5-7-8-18(6-2)24(30)26-20-11-9-19(10-12-20)25-28(23(29)17-31-25)22-15-13-21(14-16-22)27(3)4/h9-16,18,25H,5-8,17H2,1-4H3,(H,26,30)

InChI Key

VYZRWOYUFOWNJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19861589

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.237

Water Solubility, LogSw

-4.98

Polar Surface Area

42.300

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V004-5381 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 V004-5381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5381?
Check Price and Availability of V004-5381, 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 V004-5381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5381
  • 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 V004-5381 available by request