4061-0026 Screening compound: N6-(2,5-dimethylphenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

4061-0026 Screening compound: N6-(2,5-dimethylphenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
4061-0026 Screening compound: N6-(2,5-dimethylphenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4061-0026
N6-(2,5-dimethylphenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

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

4061-0026

Molecular Formula

C18H21N5O3 (C18 H21 N5 O3)

Compound Name

N6-(2,5-dimethylphenyl)-N4,N4-diethyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine

IUPAC name

N6-(25-dimethylphenyl)-N4N4-diethyl-7-nitro-213-benzoxadiazole-46-diamine

SMILES

CCN(CC)c(c1nonc11)cc(Nc2c(C)ccc(C)c2)c1[N+]([O-])=O

InChI

InChI=1S/C18H21N5O3/c1-5-22(6-2)15-10-14(19-13-9-11(3)7-8-12(13)4)18(23(24)25)17-16(15)20-26-21-17/h7-10,19H,5-6H2,1-4H3

InChI Key

JWGHOZVWNJULRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.28

Polar Surface Area

79.830

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4061-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4061-0026?
Check Price and Availability of 4061-0026, 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 4061-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4061-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4061-0026
  • 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 4061-0026 available by request