3685-1242 Screening compound: (5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

3685-1242 Screening compound: (5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
3685-1242 Screening compound: (5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3685-1242
(5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

3685-1242

Molecular Formula

C21H17BrN2O5 (C21 H17 BrN2 O5)

Compound Name

(5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(3-bromophenyl)-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

COc(cc(/C=C(\C(NC(N1c2cccc(Br)c2)=O)=O)/C1=O)cc1)c1OCC=C

InChI

InChI=1S/C21H17BrN2O5/c1-3-9-29-17-8-7-13(11-18(17)28-2)10-16-19(25)23-21(27)24(20(16)26)15-6-4-5-14(22)12-15/h3-8,10-12H,1,9H2,2H3,(H,23,25,27)

InChI Key

SUQRTRMXAUVLGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.75

Polar Surface Area

68.526

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3685-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3685-1242?
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What is the minimum amount of 3685-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3685-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3685-1242
  • 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 3685-1242 available by request