V013-8462 Screening compound: 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

V013-8462 Screening compound: 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
V013-8462 Screening compound: 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8462
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)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

V013-8462

Molecular Formula

C27H27ClN2O (C27 H27 ClN2 O)

Compound Name

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

IUPAC name

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NC(C)c1ccccc1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C27H27ClN2O/c1-3-19-10-7-11-23-25(17-29-27(19)23)24(21-12-14-22(28)15-13-21)16-26(31)30-18(2)20-8-5-4-6-9-20/h4-15,17-18,24,29H,3,16H2,1-2H3,(H,30,31)

InChI Key

HAHHFULDITVPQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.98

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.679

Distribution Coefficient, logD

6.679

Water Solubility, LogSw

-6.62

Polar Surface Area

33.971

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

V013-8462 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Indole Derivatives (10091 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-8462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8462?
Check Price and Availability of V013-8462, 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 V013-8462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8462
  • 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 V013-8462 available by request