V006-6169 Screening compound: N-{4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-ethylhexanamide

V006-6169 Screening compound: N-{4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-ethylhexanamide
V006-6169 Screening compound: N-{4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-ethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6169
N-{4-[3-(2,3-dihydro-1H-inden-5-yl)-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

V006-6169

Molecular Formula

C26H32N2O2S (C26 H32 N2 O2 S)

Compound Name

N-{4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-2-ethylhexanamide

IUPAC name

N-{4-[3-(23-dihydro-1H-inden-5-yl)-4-oxo-13-thiazolidin-2-yl]phenyl}-2-ethylhexanamide

SMILES

CCCCC(CC)C(Nc1ccc(C(N2c3cc(CCC4)c4cc3)SCC2=O)cc1)=O

InChI

InChI=1S/C26H32N2O2S/c1-3-5-7-18(4-2)25(30)27-22-13-10-20(11-14-22)26-28(24(29)17-31-26)23-15-12-19-8-6-9-21(19)16-23/h10-16,18,26H,3-9,17H2,1-2H3,(H,27,30)

InChI Key

NFJQYVDJHBURQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.992

Distribution Coefficient, logD

5.992

Water Solubility, LogSw

-5.36

Polar Surface Area

39.782

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

V006-6169 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V006-6169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6169?
Check Price and Availability of V006-6169, 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 V006-6169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6169
  • 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 V006-6169 available by request