3679-1155 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1155 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1155 Screening compound: (5E)-1-(3-fluorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1155
(5E)-1-(3-fluorophenyl)-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

3679-1155

Molecular Formula

C21H12F2N2O4 (C21 H12 F2 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H12F2N2O4/c22-13-6-4-12(5-7-13)18-9-8-16(29-18)11-17-19(26)24-21(28)25(20(17)27)15-3-1-2-14(23)10-15/h1-11H,(H,24,26,28)

InChI Key

ZFKNCNVXZQVOLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.33

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

3.683

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-4.23

Polar Surface Area

60.961

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3679-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1155?
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What is the minimum amount of 3679-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1155
  • 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 3679-1155 available by request