5042-0059 Screening compound: 2-(5-methyl-1,2-oxazol-3-yl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

5042-0059 Screening compound: 2-(5-methyl-1,2-oxazol-3-yl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione
5042-0059 Screening compound: 2-(5-methyl-1,2-oxazol-3-yl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0059
2-(5-methyl-1,2-oxazol-3-yl)-5-nitro-2,3-dihydro-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

5042-0059

Molecular Formula

C12H7N3O5 (C12 H7 N3 O5)

Compound Name

2-(5-methyl-1,2-oxazol-3-yl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(5-methyl-12-oxazol-3-yl)-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1cc(N(C(c(cc2)c3cc2[N+]([O-])=O)=O)C3=O)no1

InChI

InChI=1S/C12H7N3O5/c1-6-4-10(13-20-6)14-11(16)8-3-2-7(15(18)19)5-9(8)12(14)17/h2-5H,1H3

InChI Key

GJJNPIXKHBUSRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.2

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.276

Distribution Coefficient, logD

2.276

Water Solubility, LogSw

-2.82

Polar Surface Area

82.953

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

-9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 5042-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0059?
Check Price and Availability of 5042-0059, 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 5042-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0059
  • 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 5042-0059 available by request