3468-0284 Screening compound: 5-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

3468-0284 Screening compound: 5-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
3468-0284 Screening compound: 5-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0284
5-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

3468-0284

Molecular Formula

C24H23N3O3S (C24 H23 N3 O3 S)

Compound Name

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

IUPAC name

5-({1-[2-(3-ethyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCc1cc(C)cc(OCCn2c(cccc3)c3c(C=C(C(NC(N3)=S)=O)C3=O)c2)c1

InChI

InChI=1S/C24H23N3O3S/c1-3-16-10-15(2)11-18(12-16)30-9-8-27-14-17(19-6-4-5-7-21(19)27)13-20-22(28)25-24(31)26-23(20)29/h4-7,10-14H,3,8-9H2,1-2H3,(H2,25,26,28,29,31)

InChI Key

PPNHDQKIMIQRRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-5.05

Polar Surface Area

58.754

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3468-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0284?
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What is the minimum amount of 3468-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0284
  • 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 3468-0284 available by request