2125-0459 Screening compound: 3,4,5-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide

2125-0459 Screening compound: 3,4,5-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide
2125-0459 Screening compound: 3,4,5-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2125-0459
3,4,5-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide

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

2125-0459

Molecular Formula

C19H16N2O8 (C19 H16 N2 O8)

Compound Name

3,4,5-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide

IUPAC name

345-trimethoxy-N-(8-nitro-2-oxo-2H-chromen-3-yl)benzamide

SMILES

COc1cc(C(NC2=Cc3cccc([N+]([O-])=O)c3OC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H16N2O8/c1-26-14-8-11(9-15(27-2)17(14)28-3)18(22)20-12-7-10-5-4-6-13(21(24)25)16(10)29-19(12)23/h4-9H,1-3H3,(H,20,22)

InChI Key

FEZVDBTWJQDVBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.22

Polar Surface Area

100.957

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2125-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2125-0459?
Check Price and Availability of 2125-0459, 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 2125-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2125-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2125-0459
  • 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 2125-0459 available by request