8020-3835 Screening compound: N-(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)-N-methyl-N-(4-nitrophenyl)amine

8020-3835 Screening compound: N-(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)-N-methyl-N-(4-nitrophenyl)amine
8020-3835 Screening compound: N-(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)-N-methyl-N-(4-nitrophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3835
N-(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)-N-methyl-N-(4-nitrophenyl)amine

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

8020-3835

Molecular Formula

C13H8N6O7 (C13 H8 N6 O7)

Compound Name

N-(5,7-dinitro-2,1,3-benzoxadiazol-4-yl)-N-methyl-N-(4-nitrophenyl)amine

IUPAC name

n/a

SMILES

CN(c(cc1)ccc1[N+]([O-])=O)c(c1nonc1c([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C13H8N6O7/c1-16(7-2-4-8(5-3-7)17(20)21)13-10(19(24)25)6-9(18(22)23)11-12(13)15-26-14-11/h2-6H,1H3

InChI Key

FTDVODVPTIRNGY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.24

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.95

Polar Surface Area

138.213

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

-7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 8020-3835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3835?
Check Price and Availability of 8020-3835, 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 8020-3835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3835
  • 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 8020-3835 available by request