3679-1406 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1406 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1406 Screening compound: (5E)-1-(4-ethylphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1406
(5E)-1-(4-ethylphenyl)-5-{[5-(piperidin-1-yl)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

3679-1406

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(N3CCCCC3)o2)=O)C1=O

InChI

InChI=1S/C22H23N3O4/c1-2-15-6-8-16(9-7-15)25-21(27)18(20(26)23-22(25)28)14-17-10-11-19(29-17)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,26,28)

InChI Key

OMMNPDSPLXLNKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.66

Polar Surface Area

65.292

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 3679-1406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1406?
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What is the minimum amount of 3679-1406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1406
  • 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 3679-1406 available by request