D391-0485 Screening compound: N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide

D391-0485 Screening compound: N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide
D391-0485 Screening compound: N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-0485
N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide

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

D391-0485

Molecular Formula

C23H19N3O3 (C23 H19 N3 O3)

Compound Name

N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide

IUPAC name

N-[(1H-indol-3-yl)(phenyl)methyl]-N-methyl-3-nitrobenzamide

SMILES

CN(C(c1c[nH]c2c1cccc2)c1ccccc1)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H19N3O3/c1-25(23(27)17-10-7-11-18(14-17)26(28)29)22(16-8-3-2-4-9-16)20-15-24-21-13-6-5-12-19(20)21/h2-15,22,24H,1H3/t22-/m1/s1

InChI Key

CPPHHQDBWSERPQ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12919090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.58

Polar Surface Area

58.161

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

D391-0485 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D391-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-0485?
Check Price and Availability of D391-0485, 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 D391-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-0485
  • 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 D391-0485 available by request