V014-1498 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-phenethylpropanamide

V014-1498 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-phenethylpropanamide
V014-1498 Screening compound: 3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-phenethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1498
3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-phenethylpropanamide

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

V014-1498

Molecular Formula

C28H28N2O3 (C28 H28 N2 O3)

Compound Name

3-(1,3-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-phenethylpropanamide

IUPAC name

3-(2H-13-benzodioxol-4-yl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NCCc1ccccc1)=O)c1c2OCOc2ccc1

InChI

InChI=1S/C28H28N2O3/c1-2-20-10-6-11-21-24(17-30-27(20)21)23(22-12-7-13-25-28(22)33-18-32-25)16-26(31)29-15-14-19-8-4-3-5-9-19/h3-13,17,23,30H,2,14-16,18H2,1H3,(H,29,31)/t23-/m1/s1

InChI Key

LGZOBTOFORQROD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19853424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.62

Polar Surface Area

51.449

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V014-1498 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1498?
Check Price and Availability of V014-1498, 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 V014-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1498
  • 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 V014-1498 available by request