4695-0106 Screening compound: 2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one

4695-0106 Screening compound: 2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
4695-0106 Screening compound: 2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0106
2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one

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

4695-0106

Molecular Formula

C14H8N2O4 (C14 H8 N2 O4)

Compound Name

2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one

IUPAC name

2-(3-nitrophenyl)-4H-31-benzoxazin-4-one

SMILES

[O-][N+](c1cc(C(O2)=Nc(cccc3)c3C2=O)ccc1)=O

InChI

InChI=1S/C14H8N2O4/c17-14-11-6-1-2-7-12(11)15-13(20-14)9-4-3-5-10(8-9)16(18)19/h1-8H

InChI Key

WKYQIWUAPDQQRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.606

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-3.65

Polar Surface Area

63.567

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4695-0106 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4695-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0106?
Check Price and Availability of 4695-0106, 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 4695-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0106
  • 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 4695-0106 available by request