1499-1117 Screening compound: 5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione

1499-1117 Screening compound: 5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione
1499-1117 Screening compound: 5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-1117
5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione

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

1499-1117

Molecular Formula

C11H9N3O3 (C11 H9 N3 O3)

Compound Name

5-[(phenylamino)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(phenylamino)methylidene]-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=CNc2ccccc2)NC1=O

InChI

InChI=1S/C11H9N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6,12H,(H2,13,14,15,16,17)

InChI Key

FTDMVSVIAUREKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00158584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.376

Distribution Coefficient, logD

0.021

Water Solubility, LogSw

-1.80

Polar Surface Area

74.244

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1499-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-1117?
Check Price and Availability of 1499-1117, 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 1499-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-1117
  • 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 1499-1117 available by request