3288-0505 Screening compound: (5E)-5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

3288-0505 Screening compound: (5E)-5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
3288-0505 Screening compound: (5E)-5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0505
(5E)-5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-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

3288-0505

Molecular Formula

C25H22FN3O3 (C25 H22 FN3 O3)

Compound Name

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

IUPAC name

(5E)-5-{[1-(34-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-13-diazinane-246-trione

SMILES

Cc1cc(/C=C(\C(NC(N2c(cc3)ccc3F)=O)=O)/C2=O)c(C)n1-c1cc(C)c(C)cc1

InChI

InChI=1S/C25H22FN3O3/c1-14-5-8-21(11-15(14)2)28-16(3)12-18(17(28)4)13-22-23(30)27-25(32)29(24(22)31)20-9-6-19(26)7-10-20/h5-13H,1-4H3,(H,27,30,32)

InChI Key

XTKKHEKAHJHCMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.31

Polar Surface Area

56.056

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 3288-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0505?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0505
  • 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 3288-0505 available by request