5909-0014 Screening compound: 3-[(2,4-dinitrophenyl)amino]-6-(4-fluorophenyl)-3,4-dihydro-2H-1,3-oxazin-4-one

5909-0014 Screening compound: 3-[(2,4-dinitrophenyl)amino]-6-(4-fluorophenyl)-3,4-dihydro-2H-1,3-oxazin-4-one
5909-0014 Screening compound: 3-[(2,4-dinitrophenyl)amino]-6-(4-fluorophenyl)-3,4-dihydro-2H-1,3-oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5909-0014
3-[(2,4-dinitrophenyl)amino]-6-(4-fluorophenyl)-3,4-dihydro-2H-1,3-oxazin-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

5909-0014

Molecular Formula

C16H11FN4O6 (C16 H11 FN4 O6)

Compound Name

3-[(2,4-dinitrophenyl)amino]-6-(4-fluorophenyl)-3,4-dihydro-2H-1,3-oxazin-4-one

IUPAC name

3-[(24-dinitrophenyl)amino]-6-(4-fluorophenyl)-34-dihydro-2H-13-oxazin-4-one

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1NN(COC(c(cc1)ccc1F)=C1)C1=O)=O

InChI

InChI=1S/C16H11FN4O6/c17-11-3-1-10(2-4-11)15-8-16(22)19(9-27-15)18-13-6-5-12(20(23)24)7-14(13)21(25)26/h1-8,18H,9H2

InChI Key

AALGFUUJXSXHJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.83

Polar Surface Area

104.985

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 5909-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5909-0014?
Check Price and Availability of 5909-0014, 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 5909-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5909-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5909-0014
  • 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 5909-0014 available by request