V002-7131 Screening compound: 3,3-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-1,3-thiazolidin-2-yl}phenyl)butanamide

V002-7131 Screening compound: 3,3-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-1,3-thiazolidin-2-yl}phenyl)butanamide
V002-7131 Screening compound: 3,3-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-1,3-thiazolidin-2-yl}phenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7131
3,3-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-1,3-thiazolidin-2-yl}phenyl)butanamide

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

V002-7131

Molecular Formula

C24H30N2O2S (C24 H30 N2 O2 S)

Compound Name

3,3-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-1,3-thiazolidin-2-yl}phenyl)butanamide

IUPAC name

33-dimethyl-N-(4-{4-oxo-3-[2-(propan-2-yl)phenyl]-13-thiazolidin-2-yl}phenyl)butanamide

SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-16(2)19-8-6-7-9-20(19)26-22(28)15-29-23(26)17-10-12-18(13-11-17)25-21(27)14-24(3,4)5/h6-13,16,23H,14-15H2,1-5H3,(H,25,27)/t23-/m0/s1

InChI Key

QLAWOHWXURXEGZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19860499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.42

Polar Surface Area

38.981

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V002-7131 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 V002-7131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7131?
Check Price and Availability of V002-7131, 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 V002-7131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7131
  • 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 V002-7131 available by request