3347-3632 Screening compound: 5-[1-butyl-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione

3347-3632 Screening compound: 5-[1-butyl-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione
3347-3632 Screening compound: 5-[1-butyl-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridin-4-ylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3632
5-[1-butyl-2-methyl-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

3347-3632

Molecular Formula

C15H16F3N3O3 (C15 H16 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C)=C1)C(C(F)(F)F)=CC1=C(C(NC(N1)=O)=O)C1=O

InChI

InChI=1S/C15H16F3N3O3/c1-3-4-5-21-8(2)6-9(7-10(21)15(16,17)18)11-12(22)19-14(24)20-13(11)23/h6-7H,3-5H2,1-2H3,(H2,19,20,22,23,24)

InChI Key

LBLYRGKHJVEJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.256

Distribution Coefficient, logD

1.634

Water Solubility, LogSw

-2.64

Polar Surface Area

64.521

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3347-3632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3632?
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What is the minimum amount of 3347-3632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3632
  • 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 3347-3632 available by request