V009-4553 Screening compound: N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide

V009-4553 Screening compound: N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
V009-4553 Screening compound: N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4553
N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-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

V009-4553

Molecular Formula

C32H29N3O3 (C32 H29 N3 O3)

Compound Name

N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide

IUPAC name

N-(33-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide

SMILES

[O-][N+](c1cc(C(CC(NCCC(c2ccccc2)c2ccccc2)=O)c2c[nH]c3c2cccc3)ccc1)=O

InChI

InChI=1S/C32H29N3O3/c36-32(33-19-18-27(23-10-3-1-4-11-23)24-12-5-2-6-13-24)21-29(25-14-9-15-26(20-25)35(37)38)30-22-34-31-17-8-7-16-28(30)31/h1-17,20,22,27,29,34H,18-19,21H2,(H,33,36)/t29-/m1/s1

InChI Key

XJVCSMDEXUHURI-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19852296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.552

Distribution Coefficient, logD

6.552

Water Solubility, LogSw

-6.37

Polar Surface Area

66.989

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

V009-4553 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4553?
Check Price and Availability of V009-4553, 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 V009-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4553
  • 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 V009-4553 available by request