V004-3042 Screening compound: ethyl 3-({3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}carbamoyl)propanoate

V004-3042 Screening compound: ethyl 3-({3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}carbamoyl)propanoate
V004-3042 Screening compound: ethyl 3-({3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3042
ethyl 3-({3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}carbamoyl)propanoate

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

V004-3042

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

ethyl 3-({3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}carbamoyl)propanoate

IUPAC name

ethyl 3-({3-[3-(35-dimethylphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}carbamoyl)propanoate

SMILES

CCOC(CCC(Nc1cccc(C(N2c3cc(C)cc(C)c3)SCC2=O)c1)=O)=O

InChI

InChI=1S/C23H26N2O4S/c1-4-29-22(28)9-8-20(26)24-18-7-5-6-17(13-18)23-25(21(27)14-30-23)19-11-15(2)10-16(3)12-19/h5-7,10-13,23H,4,8-9,14H2,1-3H3,(H,24,26)/t23-/m0/s1

InChI Key

DLPZEFVVENPHIC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19861786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.02

Polar Surface Area

59.441

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V004-3042 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 V004-3042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3042?
Check Price and Availability of V004-3042, 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 V004-3042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3042
  • 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 V004-3042 available by request