V029-4621 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)propanamide

V029-4621 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)propanamide
V029-4621 Screening compound: 3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4621
3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)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

V029-4621

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)propanamide

IUPAC name

3-{1-[(4-methoxyphenyl)methyl]-1H-indol-3-yl}-N-(2-methylpropyl)-3-(3-nitrophenyl)propanamide

SMILES

CC(C)CNC(CC(c1cn(Cc(cc2)ccc2OC)c2c1cccc2)c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C29H31N3O4/c1-20(2)17-30-29(33)16-26(22-7-6-8-23(15-22)32(34)35)27-19-31(28-10-5-4-9-25(27)28)18-21-11-13-24(36-3)14-12-21/h4-15,19-20,26H,16-18H2,1-3H3,(H,30,33)/t26-/m1/s1

InChI Key

FFHKCHRJMYFPFW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19780664

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.493

Distribution Coefficient, logD

5.493

Water Solubility, LogSw

-5.64

Polar Surface Area

67.096

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V029-4621 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-4621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4621?
Check Price and Availability of V029-4621, 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 V029-4621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4621
  • 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 V029-4621 available by request