0615-6087 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 4-methoxy-3-nitrobenzoate

0615-6087 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 4-methoxy-3-nitrobenzoate
0615-6087 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 4-methoxy-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0615-6087
4-methyl-2-oxo-2H-chromen-7-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

0615-6087

Molecular Formula

C18H13NO7 (C18 H13 NO7)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl 4-methoxy-3-nitrobenzoate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl 4-methoxy-3-nitrobenzoate

SMILES

CC(c(ccc(OC(c(cc1)cc([N+]([O-])=O)c1OC)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C18H13NO7/c1-10-7-17(20)26-16-9-12(4-5-13(10)16)25-18(21)11-3-6-15(24-2)14(8-11)19(22)23/h3-9H,1-2H3

InChI Key

JBGAPCOUYOBGQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.99

Polar Surface Area

81.735

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0615-6087 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0615-6087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0615-6087?
Check Price and Availability of 0615-6087, 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 0615-6087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0615-6087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0615-6087
  • 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 0615-6087 available by request