V002-9814 Screening compound: N~1~-isobutyl-3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanamide

V002-9814 Screening compound: N~1~-isobutyl-3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanamide
V002-9814 Screening compound: N~1~-isobutyl-3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9814
N~1~-isobutyl-3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)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

V002-9814

Molecular Formula

C23H28N2O (C23 H28 N2 O)

Compound Name

N~1~-isobutyl-3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanamide

IUPAC name

3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide

SMILES

CC(C)CNC(CC(c1cn(C)c2c1cccc2)c1ccc(C)cc1)=O

InChI

InChI=1S/C23H28N2O/c1-16(2)14-24-23(26)13-20(18-11-9-17(3)10-12-18)21-15-25(4)22-8-6-5-7-19(21)22/h5-12,15-16,20H,13-14H2,1-4H3,(H,24,26)/t20-/m1/s1

InChI Key

QGERYGUAAAQJFT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19776866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.11

Polar Surface Area

26.998

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

V002-9814 in Drug Discovery

Included in Screening Libraries

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 V002-9814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9814?
Check Price and Availability of V002-9814, 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 V002-9814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9814
  • 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 V002-9814 available by request