0478-0710 Screening compound: 5-nitro-2-octyl-1H-1,3-benzodiazole

0478-0710 Screening compound: 5-nitro-2-octyl-1H-1,3-benzodiazole
0478-0710 Screening compound: 5-nitro-2-octyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0710
5-nitro-2-octyl-1H-1,3-benzodiazole

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

0478-0710

Molecular Formula

C15H21N3O2 (C15 H21 N3 O2)

Compound Name

5-nitro-2-octyl-1H-1,3-benzodiazole

IUPAC name

5-nitro-2-octyl-1H-13-benzodiazole

SMILES

CCCCCCCCc1nc(cc(cc2)[N+]([O-])=O)c2[nH]1

InChI

InChI=1S/C15H21N3O2/c1-2-3-4-5-6-7-8-15-16-13-10-9-12(18(19)20)11-14(13)17-15/h9-11H,2-8H2,1H3,(H,16,17)

InChI Key

UNOMUPOSVADGHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00422267

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.471

Water Solubility, LogSw

-5.32

Polar Surface Area

53.902

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with 0478-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0710?
Check Price and Availability of 0478-0710, 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 0478-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0710
  • 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 0478-0710 available by request