2022-3522 Screening compound: 1-(2-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

2022-3522 Screening compound: 1-(2-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
2022-3522 Screening compound: 1-(2-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2022-3522
1-(2-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

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

2022-3522

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

1-(2-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(2-nitrobenzoyl)-1234-tetrahydroquinoline

SMILES

[O-][N+](c(cccc1)c1C(N(CCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C16H14N2O3/c19-16(13-8-2-4-10-15(13)18(20)21)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11H2

InChI Key

SKQUFIITEPNXCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.67

Polar Surface Area

48.632

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2022-3522 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2022-3522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2022-3522?
Check Price and Availability of 2022-3522, 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 2022-3522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2022-3522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2022-3522
  • 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 2022-3522 available by request