5522-0251 Screening compound: 2-[(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione

5522-0251 Screening compound: 2-[(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
5522-0251 Screening compound: 2-[(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5522-0251
2-[(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-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

5522-0251

Molecular Formula

C17H8ClN3O6 (C17 H8 ClN3 O6)

Compound Name

2-[(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[(6-chloro-4-oxo-4H-31-benzoxazin-2-yl)methyl]-5-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c(cc1)cc(C(N2CC(O3)=Nc(ccc(Cl)c4)c4C3=O)=O)c1C2=O)=O

InChI

InChI=1S/C17H8ClN3O6/c18-8-1-4-13-12(5-8)17(24)27-14(19-13)7-20-15(22)10-3-2-9(21(25)26)6-11(10)16(20)23/h1-6H,7H2

InChI Key

WCFBVGRLBMNOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03236003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-3.55

Polar Surface Area

93.237

Acid Dissociation Constant (pKa)

23.86

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

References: we are preparing a list of scientific research reports with 5522-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5522-0251?
Check Price and Availability of 5522-0251, 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 5522-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5522-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5522-0251
  • 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 5522-0251 available by request