V003-4016 Screening compound: 1-{4-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea

V003-4016 Screening compound: 1-{4-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea
V003-4016 Screening compound: 1-{4-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4016
1-{4-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea

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

V003-4016

Molecular Formula

C27H23N3O2S (C27 H23 N3 O2 S)

Compound Name

1-{4-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea

IUPAC name

1-{4-[3-(2-methylphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-3-(naphthalen-1-yl)urea

SMILES

Cc(cccc1)c1N(C(c(cc1)ccc1NC(Nc1cccc2ccccc12)=O)SC1)C1=O

InChI

InChI=1S/C27H23N3O2S/c1-18-7-2-5-12-24(18)30-25(31)17-33-26(30)20-13-15-21(16-14-20)28-27(32)29-23-11-6-9-19-8-3-4-10-22(19)23/h2-16,26H,17H2,1H3,(H2,28,29,32)/t26-/m0/s1

InChI Key

OLIPTGAHCVPGFO-SANMLTNESA-N

MDL Number (MFCD)

MFCD19853932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-6.61

Polar Surface Area

47.166

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

V003-4016 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 V003-4016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4016?
Check Price and Availability of V003-4016, 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 V003-4016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4016
  • 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 V003-4016 available by request