2280-6600 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide

2280-6600 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide
2280-6600 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2280-6600
N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide

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

2280-6600

Molecular Formula

C16H12N2O6 (C16 H12 N2 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-(4-nitrophenyl)-3-oxopropanamide

SMILES

[O-][N+](c(cc1)ccc1C(CC(Nc(cc1)cc2c1OCO2)=O)=O)=O

InChI

InChI=1S/C16H12N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-16(20)17-11-3-6-14-15(7-11)24-9-23-14/h1-7H,8-9H2,(H,17,20)

InChI Key

NYBGDRGKGPDNGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01124514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-3.01

Polar Surface Area

86.860

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2280-6600 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2280-6600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2280-6600?
Check Price and Availability of 2280-6600, 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 2280-6600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2280-6600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2280-6600
  • 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 2280-6600 available by request