3679-1397 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1397 Screening compound: (5E)-1-(3-bromophenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1397 Screening compound: (5E)-1-(3-bromophenyl)-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 3679-1397
(5E)-1-(3-bromophenyl)-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

3679-1397

Molecular Formula

C20H18BrN3O4 (C20 H18 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/C(N1c2cccc(Br)c2)=O)=C\c2ccc(N3CCCCC3)o2)NC1=O

InChI

InChI=1S/C20H18BrN3O4/c21-13-5-4-6-14(11-13)24-19(26)16(18(25)22-20(24)27)12-15-7-8-17(28-15)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2,(H,22,25,27)

InChI Key

QZAVMLLNNNQVPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

2.513

Water Solubility, LogSw

-3.64

Polar Surface Area

65.292

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3679-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1397?
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What is the minimum amount of 3679-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1397
  • 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 3679-1397 available by request