3679-1147 Screening compound: (5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1147 Screening compound: (5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1147 Screening compound: (5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1147
(5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]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

3679-1147

Molecular Formula

C21H12ClFN2O4 (C21 H12 ClFN2 O4)

Compound Name

(5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(3-chlorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c2cccc(Cl)c2)=O)=C\c2ccc(-c(cc3)ccc3F)o2)NC1=O

InChI

InChI=1S/C21H12ClFN2O4/c22-13-2-1-3-15(10-13)25-20(27)17(19(26)24-21(25)28)11-16-8-9-18(29-16)12-4-6-14(23)7-5-12/h1-11H,(H,24,26,28)

InChI Key

KDPFFLQVSIFHFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-4.61

Polar Surface Area

60.961

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3679-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3679-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1147
  • 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 3679-1147 available by request