5816-0055 Screening compound: 2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[3,2-b]indole-3-carbonitrile

5816-0055 Screening compound: 2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[3,2-b]indole-3-carbonitrile
5816-0055 Screening compound: 2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[3,2-b]indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5816-0055
2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[3,2-b]indole-3-carbonitrile

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

5816-0055

Molecular Formula

C24H15N5O2 (C24 H15 N5 O2)

Compound Name

2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[3,2-b]indole-3-carbonitrile

IUPAC name

2-[(4-nitrophenyl)(phenyl)amino]-5H-pyrido[32-b]indole-3-carbonitrile

SMILES

N#Cc1cc([nH]c2c3cccc2)c3nc1N(c1ccccc1)c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C24H15N5O2/c25-15-16-14-22-23(20-8-4-5-9-21(20)26-22)27-24(16)28(17-6-2-1-3-7-17)18-10-12-19(13-11-18)29(30)31/h1-14,26H

InChI Key

INETVEGDAVNDPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.458

Water Solubility, LogSw

-6.22

Polar Surface Area

70.721

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5816-0055 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5816-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5816-0055?
Check Price and Availability of 5816-0055, 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 5816-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5816-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5816-0055
  • 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 5816-0055 available by request