0878-7138 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-methyl-3-nitrobenzoate

0878-7138 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-methyl-3-nitrobenzoate
0878-7138 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl 2-methyl-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0878-7138
4-methyl-2-oxo-2H-chromen-7-yl 2-methyl-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

0878-7138

Molecular Formula

C18H13NO6 (C18 H13 NO6)

Compound Name

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

IUPAC name

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

SMILES

CC(c(ccc(OC(c1cccc([N+]([O-])=O)c1C)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C18H13NO6/c1-10-8-17(20)25-16-9-12(6-7-13(10)16)24-18(21)14-4-3-5-15(11(14)2)19(22)23/h3-9H,1-2H3

InChI Key

GKIPTHWKIYTKII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-4.02

Polar Surface Area

74.104

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 0878-7138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0878-7138?
Check Price and Availability of 0878-7138, 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 0878-7138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0878-7138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0878-7138
  • 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 0878-7138 available by request