000L-5787 Screening compound: 2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one

000L-5787 Screening compound: 2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one
000L-5787 Screening compound: 2-(3-methyl-4-nitrophenyl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 000L-5787
2-(3-methyl-4-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

000L-5787

Molecular Formula

C15H10N2O4 (C15 H10 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(O2)=Nc(cccc3)c3C2=O)c1[N+]([O-])=O

InChI

InChI=1S/C15H10N2O4/c1-9-8-10(6-7-13(9)17(19)20)14-16-12-5-3-2-4-11(12)15(18)21-14/h2-8H,1H3

InChI Key

OARNIVGEQSKABL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

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

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.69

Polar Surface Area

63.266

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

000L-5787 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 000L-5787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000L-5787?
Check Price and Availability of 000L-5787, 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 000L-5787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000L-5787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000L-5787
  • 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 000L-5787 available by request