2023-0101 Screening compound: N-(adamantan-1-yl)-5-nitroquinolin-8-amine

2023-0101 Screening compound: N-(adamantan-1-yl)-5-nitroquinolin-8-amine
2023-0101 Screening compound: N-(adamantan-1-yl)-5-nitroquinolin-8-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0101
N-(adamantan-1-yl)-5-nitroquinolin-8-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

2023-0101

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

N-(adamantan-1-yl)-5-nitroquinolin-8-amine

IUPAC name

N-(adamantan-1-yl)-5-nitroquinolin-8-amine

SMILES

[O-][N+](c(c1cccnc11)ccc1NC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C19H21N3O2/c23-22(24)17-4-3-16(18-15(17)2-1-5-20-18)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,21H,6-11H2

InChI Key

RSZQXNLPTHODHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01882397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-5.09

Polar Surface Area

52.085

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

2023-0101 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2023-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0101?
Check Price and Availability of 2023-0101, 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 2023-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0101
  • 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 2023-0101 available by request