N013-0005 Screening compound: 4,6-dinitro-2,3-dihydro-1,3-benzoxazol-2-one

N013-0005 Screening compound: 4,6-dinitro-2,3-dihydro-1,3-benzoxazol-2-one
N013-0005 Screening compound: 4,6-dinitro-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N013-0005
4,6-dinitro-2,3-dihydro-1,3-benzoxazol-2-one

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

N013-0005

Molecular Formula

C7H3N3O6 (C7 H3 N3 O6)

Compound Name

4,6-dinitro-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

46-dinitro-23-dihydro-13-benzoxazol-2-one

SMILES

[O-][N+](c(cc1O2)cc([N+]([O-])=O)c1NC2=O)=O

InChI

InChI=1S/C7H3N3O6/c11-7-8-6-4(10(14)15)1-3(9(12)13)2-5(6)16-7/h1-2H,(H,8,11)

InChI Key

WOYSNBCUACAGHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00694179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.12

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

-1.790

Water Solubility, LogSw

-2.29

Polar Surface Area

97.866

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with N013-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N013-0005?
Check Price and Availability of N013-0005, 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 N013-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N013-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N013-0005
  • 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 N013-0005 available by request