3347-3628 Screening compound: 5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione

3347-3628 Screening compound: 5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione
3347-3628 Screening compound: 5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3628
5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-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

3347-3628

Molecular Formula

C14H14F3N3O3 (C14 H14 F3 N3 O3)

Compound Name

5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[2-methyl-1-(propan-2-yl)-6-(trifluoromethyl)-14-dihydropyridin-4-ylidene]-13-diazinane-246-trione

SMILES

CC(C)N(C(C)=C1)C(C(F)(F)F)=CC1=C(C(NC(N1)=O)=O)C1=O

InChI

InChI=1S/C14H14F3N3O3/c1-6(2)20-7(3)4-8(5-9(20)14(15,16)17)10-11(21)18-13(23)19-12(10)22/h4-6H,1-3H3,(H2,18,19,21,22,23)

InChI Key

ZNWPRAYOWJVCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-2.19

Polar Surface Area

64.263

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3347-3628 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3347-3628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3628?
Check Price and Availability of 3347-3628, 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 3347-3628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3628
  • 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 3347-3628 available by request