8011-4699 Screening compound: (5E)-1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

8011-4699 Screening compound: (5E)-1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
8011-4699 Screening compound: (5E)-1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4699
(5E)-1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)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

8011-4699

Molecular Formula

C20H24N2O6 (C20 H24 N2 O6)

Compound Name

(5E)-1-cyclohexyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-cyclohexyl-5-[(246-trimethoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

COc1cc(OC)c(/C=C(\C(NC(N2C3CCCCC3)=O)=O)/C2=O)c(OC)c1

InChI

InChI=1S/C20H24N2O6/c1-26-13-9-16(27-2)14(17(10-13)28-3)11-15-18(23)21-20(25)22(19(15)24)12-7-5-4-6-8-12/h9-12H,4-8H2,1-3H3,(H,21,23,25)

InChI Key

PBTCECSCOODZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02019068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.31

Polar Surface Area

76.028

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with 8011-4699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4699?
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What is the minimum amount of 8011-4699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4699
  • 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 8011-4699 available by request