V012-0826 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

V012-0826 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
V012-0826 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0826
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)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

V012-0826

Molecular Formula

C29H30N2O5 (C29 H30 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(34-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NCc(cc1)cc2c1OCO2)=O)c(cc1)cc(OC)c1OC

InChI

InChI=1S/C29H30N2O5/c1-4-19-6-5-7-21-23(16-31-29(19)21)22(20-9-11-24(33-2)26(13-20)34-3)14-28(32)30-15-18-8-10-25-27(12-18)36-17-35-25/h5-13,16,22,31H,4,14-15,17H2,1-3H3,(H,30,32)/t22-/m1/s1

InChI Key

GGJYUBYUWHNDJV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19850925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.42

Polar Surface Area

67.184

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V012-0826 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V012-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0826?
Check Price and Availability of V012-0826, 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 V012-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0826
  • 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 V012-0826 available by request