3448-0326 Screening compound: 4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile

3448-0326 Screening compound: 4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile
3448-0326 Screening compound: 4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0326
4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile

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

3448-0326

Molecular Formula

C17H10N2O5 (C17 H10 N2 O5)

Compound Name

4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile

IUPAC name

4-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]-3-nitrobenzonitrile

SMILES

CC(c(cc(cc1)Oc(ccc(C#N)c2)c2[N+]([O-])=O)c1O1)=CC1=O

InChI

InChI=1S/C17H10N2O5/c1-10-6-17(20)24-15-5-3-12(8-13(10)15)23-16-4-2-11(9-18)7-14(16)19(21)22/h2-8H,1H3

InChI Key

PVYOAMQMNQMESL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02102828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.49

Polar Surface Area

77.617

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3448-0326 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3448-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0326?
Check Price and Availability of 3448-0326, 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 3448-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0326
  • 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 3448-0326 available by request