1616-0103 Screening compound: 4-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol

1616-0103 Screening compound: 4-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol
1616-0103 Screening compound: 4-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1616-0103
4-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol

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

1616-0103

Molecular Formula

C13H10N4O4 (C13 H10 N4 O4)

Compound Name

4-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol

IUPAC name

4-[methyl(7-nitro-213-benzoxadiazol-4-yl)amino]phenol

SMILES

CN(c(cc1)ccc1O)c(c1nonc11)ccc1[N+]([O-])=O

InChI

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

InChI Key

RYABCOCWRXIOIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00577068

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

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-2.09

Polar Surface Area

89.669

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1616-0103 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1616-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1616-0103?
Check Price and Availability of 1616-0103, 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 1616-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1616-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1616-0103
  • 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 1616-0103 available by request