4082-0424 Screening compound: 5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

4082-0424 Screening compound: 5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
4082-0424 Screening compound: 5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4082-0424
5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-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

4082-0424

Molecular Formula

C26H24FN3O4 (C26 H24 FN3 O4)

Compound Name

5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-25-dimethyl-1H-pyrrol-3-yl)methylidene]-13-dimethyl-13-diazinane-246-trione

SMILES

Cc1cc(C=C(C(N(C)C(N2C)=O)=O)C2=O)c(C)n1-c(cc1)ccc1OCc(cccc1)c1F

InChI

InChI=1S/C26H24FN3O4/c1-16-13-19(14-22-24(31)28(3)26(33)29(4)25(22)32)17(2)30(16)20-9-11-21(12-10-20)34-15-18-7-5-6-8-23(18)27/h5-14H,15H2,1-4H3

InChI Key

FAWKYQQRKGVLCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.07

Polar Surface Area

55.018

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 4082-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4082-0424?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4082-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4082-0424
  • 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 4082-0424 available by request