1616-0075 Screening compound: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

1616-0075 Screening compound: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
1616-0075 Screening compound: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1616-0075
N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-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

1616-0075

Molecular Formula

C13H10N4O4 (C13 H10 N4 O4)

Compound Name

N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-(2-methoxyphenyl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

COc(cccc1)c1Nc(ccc1nonc11)c1[N+]([O-])=O

InChI

InChI=1S/C13H10N4O4/c1-20-11-5-3-2-4-8(11)14-10-7-6-9-12(16-21-15-9)13(10)17(18)19/h2-7,14H,1H3

InChI Key

TXJJFXCDMVNNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.58

Polar Surface Area

84.255

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1616-0075 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1616-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1616-0075?
Check Price and Availability of 1616-0075, 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 1616-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1616-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1616-0075
  • 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 1616-0075 available by request