3202-0340 Screening compound: 5-({3-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

3202-0340 Screening compound: 5-({3-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
3202-0340 Screening compound: 5-({3-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0340
5-({3-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}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

3202-0340

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

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

IUPAC name

5-({3-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCc1cc(C)cc(OCCOc2cccc(C=C(C(NC(N3)=S)=O)C3=O)c2)c1

InChI

InChI=1S/C22H22N2O4S/c1-3-15-9-14(2)10-18(11-15)28-8-7-27-17-6-4-5-16(12-17)13-19-20(25)23-22(29)24-21(19)26/h4-6,9-13H,3,7-8H2,1-2H3,(H2,23,24,25,26,29)

InChI Key

XSVLPLHSQFHPKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.949

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.66

Polar Surface Area

64.190

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3202-0340 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 3202-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0340?
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What is the minimum amount of 3202-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0340
  • 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 3202-0340 available by request