V012-0814 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

V012-0814 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide
V012-0814 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0814
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(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

V012-0814

Molecular Formula

C28H30N2O4 (C28 H30 N2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propanamide

SMILES

COc1cccc(C(CC(NCCc(cc2)cc(OC)c2OC)=O)c2c[nH]c3c2cccc3)c1

InChI

InChI=1S/C28H30N2O4/c1-32-21-8-6-7-20(16-21)23(24-18-30-25-10-5-4-9-22(24)25)17-28(31)29-14-13-19-11-12-26(33-2)27(15-19)34-3/h4-12,15-16,18,23,30H,13-14,17H2,1-3H3,(H,29,31)/t23-/m1/s1

InChI Key

XKOJGSUHALJWAJ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19850856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.35

Polar Surface Area

56.684

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V012-0814 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with V012-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0814?
Check Price and Availability of V012-0814, 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 V012-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0814
  • 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 V012-0814 available by request