V002-5856 Screening compound: N-(3,3-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

V002-5856 Screening compound: N-(3,3-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide
V002-5856 Screening compound: N-(3,3-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5856
N-(3,3-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

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

V002-5856

Molecular Formula

C35H36N2O2 (C35 H36 N2 O2)

Compound Name

N-(3,3-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

IUPAC name

N-(33-diphenylpropyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NCCC(c1ccccc1)c1ccccc1)=O)c1cc(OC)ccc1

InChI

InChI=1S/C35H36N2O2/c1-3-25-16-11-19-31-33(24-37-35(25)31)32(28-17-10-18-29(22-28)39-2)23-34(38)36-21-20-30(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-19,22,24,30,32,37H,3,20-21,23H2,1-2H3,(H,36,38)/t32-/m1/s1

InChI Key

MWWALDGKWOFHDE-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19851063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.593

Distribution Coefficient, logD

7.593

Water Solubility, LogSw

-5.99

Polar Surface Area

41.922

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.90

V002-5856 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Glucocorticoid receptors Library (4806 compounds)

Indole Derivatives (10091 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-5856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5856?
Check Price and Availability of V002-5856, 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 V002-5856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5856
  • 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 V002-5856 available by request