2153-0566 Screening compound: quinolin-8-yl 4-methoxy-3-nitrobenzoate

2153-0566 Screening compound: quinolin-8-yl 4-methoxy-3-nitrobenzoate
2153-0566 Screening compound: quinolin-8-yl 4-methoxy-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2153-0566
quinolin-8-yl 4-methoxy-3-nitrobenzoate

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

2153-0566

Molecular Formula

C17H12N2O5 (C17 H12 N2 O5)

Compound Name

quinolin-8-yl 4-methoxy-3-nitrobenzoate

IUPAC name

quinolin-8-yl 4-methoxy-3-nitrobenzoate

SMILES

COc(ccc(C(Oc1cccc2cccnc12)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H12N2O5/c1-23-14-8-7-12(10-13(14)19(21)22)17(20)24-15-6-2-4-11-5-3-9-18-16(11)15/h2-10H,1H3

InChI Key

ANWDYFXKENUGIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.06

Polar Surface Area

70.947

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

2153-0566 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 2153-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2153-0566?
Check Price and Availability of 2153-0566, 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 2153-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2153-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2153-0566
  • 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 2153-0566 available by request