V003-2187 Screening compound: N-{4-[3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide

V003-2187 Screening compound: N-{4-[3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide
V003-2187 Screening compound: N-{4-[3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2187
N-{4-[3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-pentylbenzamide

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

V003-2187

Molecular Formula

C29H32N2O3S (C29 H32 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCc(cc1)ccc1C(Nc1ccc(C(N2c(cccc3)c3OCC)SCC2=O)cc1)=O

InChI

InChI=1S/C29H32N2O3S/c1-3-5-6-9-21-12-14-22(15-13-21)28(33)30-24-18-16-23(17-19-24)29-31(27(32)20-35-29)25-10-7-8-11-26(25)34-4-2/h7-8,10-19,29H,3-6,9,20H2,1-2H3,(H,30,33)/t29-/m0/s1

InChI Key

OBGDNWLQGFDUCQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19858335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.980

Distribution Coefficient, logD

6.980

Water Solubility, LogSw

-5.71

Polar Surface Area

46.133

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V003-2187 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with V003-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2187?
Check Price and Availability of V003-2187, 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 V003-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2187
  • 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 V003-2187 available by request