3202-0299 Screening compound: 5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

3202-0299 Screening compound: 5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
3202-0299 Screening compound: 5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0299
5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}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

3202-0299

Molecular Formula

C23H24N2O5S (C23 H24 N2 O5 S)

Compound Name

5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-({4-[2-(34-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCOc(cc(C=C(C(NC(N1)=S)=O)C1=O)cc1)c1OCCOc1cc(C)c(C)cc1

InChI

InChI=1S/C23H24N2O5S/c1-4-28-20-13-16(12-18-21(26)24-23(31)25-22(18)27)6-8-19(20)30-10-9-29-17-7-5-14(2)15(3)11-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,24,25,26,27,31)

InChI Key

PPTOFUIKBILNLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

3.861

Water Solubility, LogSw

-4.28

Polar Surface Area

71.487

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

3202-0299 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 3202-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0299?
Check Price and Availability of 3202-0299, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3202-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0299
  • 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 3202-0299 available by request