V012-0813 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V012-0813 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V012-0813 Screening compound: 3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0813
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}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

V012-0813

Molecular Formula

C29H29F3N2O3 (C29 H29 F3 N2 O3)

Compound Name

3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-(34-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

CCc1cccc2c1[nH]cc2C(CC(NCc1cccc(C(F)(F)F)c1)=O)c(cc1)cc(OC)c1OC

InChI

InChI=1S/C29H29F3N2O3/c1-4-19-8-6-10-22-24(17-34-28(19)22)23(20-11-12-25(36-2)26(14-20)37-3)15-27(35)33-16-18-7-5-9-21(13-18)29(30,31)32/h5-14,17,23,34H,4,15-16H2,1-3H3,(H,33,35)/t23-/m1/s1

InChI Key

YBKVSIKQXTXBLU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19850915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.062

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-5.96

Polar Surface Area

50.069

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V012-0813 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0813?
Check Price and Availability of V012-0813, 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 V012-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0813
  • 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 V012-0813 available by request