3468-0104 Screening compound: (5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

3468-0104 Screening compound: (5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
3468-0104 Screening compound: (5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0104
(5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-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

3468-0104

Molecular Formula

C28H23N3O4 (C28 H23 N3 O4)

Compound Name

(5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-phenyl-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1OCCn1c(cccc2)c2c(/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)c1

InChI

InChI=1S/C28H23N3O4/c1-19-11-13-22(14-12-19)35-16-15-30-18-20(23-9-5-6-10-25(23)30)17-24-26(32)29-28(34)31(27(24)33)21-7-3-2-4-8-21/h2-14,17-18H,15-16H2,1H3,(H,29,32,34)

InChI Key

UAHAJYGCUCYWAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.09

Polar Surface Area

62.519

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

3468-0104 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3468-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0104?
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What is the minimum amount of 3468-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0104
  • 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 3468-0104 available by request