3093-0227 Screening compound: 2,7,8-trimethyl-5-nitro-N-phenylquinolin-4-amine

3093-0227 Screening compound: 2,7,8-trimethyl-5-nitro-N-phenylquinolin-4-amine
3093-0227 Screening compound: 2,7,8-trimethyl-5-nitro-N-phenylquinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3093-0227
2,7,8-trimethyl-5-nitro-N-phenylquinolin-4-amine

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

3093-0227

Molecular Formula

C18H17N3O2 (C18 H17 N3 O2)

Compound Name

2,7,8-trimethyl-5-nitro-N-phenylquinolin-4-amine

IUPAC name

278-trimethyl-5-nitro-N-phenylquinolin-4-amine

SMILES

Cc1c(C)c2nc(C)cc(Nc3ccccc3)c2c([N+]([O-])=O)c1

InChI

InChI=1S/C18H17N3O2/c1-11-9-16(21(22)23)17-15(20-14-7-5-4-6-8-14)10-12(2)19-18(17)13(11)3/h4-10H,1-3H3,(H,19,20)

InChI Key

AXIWWLGRJLSXHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

4.957

Water Solubility, LogSw

-4.90

Polar Surface Area

50.441

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3093-0227 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3093-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3093-0227?
Check Price and Availability of 3093-0227, 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 3093-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3093-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3093-0227
  • 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 3093-0227 available by request