3228-0109 Screening compound: 2-imino-1-(4-nitrophenyl)-1H,2H,5H-pyrido[3,2-b]indole-3-carbonitrile

3228-0109 Screening compound: 2-imino-1-(4-nitrophenyl)-1H,2H,5H-pyrido[3,2-b]indole-3-carbonitrile
3228-0109 Screening compound: 2-imino-1-(4-nitrophenyl)-1H,2H,5H-pyrido[3,2-b]indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0109
2-imino-1-(4-nitrophenyl)-1H,2H,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

3228-0109

Molecular Formula

C18H11N5O2 (C18 H11 N5 O2)

Compound Name

2-imino-1-(4-nitrophenyl)-1H,2H,5H-pyrido[3,2-b]indole-3-carbonitrile

IUPAC name

2-imino-1-(4-nitrophenyl)-1H2H5H-pyrido[32-b]indole-3-carbonitrile

SMILES

N=C(C(C#N)=Cc1c2c(cccc3)c3[nH]1)N2c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H11N5O2/c19-10-11-9-16-17(14-3-1-2-4-15(14)21-16)22(18(11)20)12-5-7-13(8-6-12)23(24)25/h1-9,20-21H

InChI Key

SVNWDFBGXLJHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

-0.031

Water Solubility, LogSw

-3.45

Polar Surface Area

80.870

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3228-0109 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3228-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0109?
Check Price and Availability of 3228-0109, 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 3228-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0109
  • 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 3228-0109 available by request