R052-0894 Screening compound: 2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

R052-0894 Screening compound: 2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione
R052-0894 Screening compound: 2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0894
2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

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

R052-0894

Molecular Formula

C14H13FN2O4 (C14 H13 FN2 O4)

Compound Name

2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-fluoro-3-nitrophenyl)-octahydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc(cc1)N(C(C2C3CCCC2)=O)C3=O)c1F)=O

InChI

InChI=1S/C14H13FN2O4/c15-11-6-5-8(7-12(11)17(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h5-7,9-10H,1-4H2

InChI Key

HQFJQHRKUKTWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.62

Polar Surface Area

62.153

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with R052-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0894?
Check Price and Availability of R052-0894, 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 R052-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0894
  • 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 R052-0894 available by request