2368-0040 Screening compound: (5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

2368-0040 Screening compound: (5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
2368-0040 Screening compound: (5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0040
(5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(3,5-dimethylphenyl)-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

2368-0040

Molecular Formula

C27H23IN2O5 (C27 H23 IN2 O5)

Compound Name

(5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-{[4-(benzyloxy)-3-iodo-5-methoxyphenyl]methylidene}-1-(35-dimethylphenyl)-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C/c(cc3OC)cc(I)c3OCc3ccccc3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C27H23IN2O5/c1-16-9-17(2)11-20(10-16)30-26(32)21(25(31)29-27(30)33)12-19-13-22(28)24(23(14-19)34-3)35-15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,29,31,33)

InChI Key

IIKZEUPFXGYICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.39

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

5.755

Distribution Coefficient, logD

5.739

Water Solubility, LogSw

-5.50

Polar Surface Area

68.422

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 2368-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0040?
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What is the minimum amount of 2368-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0040
  • 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 2368-0040 available by request