3202-0380 Screening compound: 5-({3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

3202-0380 Screening compound: 5-({3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
3202-0380 Screening compound: 5-({3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0380
5-({3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}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

3202-0380

Molecular Formula

C22H21ClN2O5S (C22 H21 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1OCCOc(c(OC)cc(C=C(C(NC(N1)=S)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-12-4-5-15(8-13(12)2)29-6-7-30-19-17(23)10-14(11-18(19)28-3)9-16-20(26)24-22(31)25-21(16)27/h4-5,8-11H,6-7H2,1-3H3,(H2,24,25,26,27,31)

InChI Key

PSTDUJYANDFKSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02017772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-5.34

Polar Surface Area

71.993

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3202-0380 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 3202-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0380?
Check Price and Availability of 3202-0380, 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 3202-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0380
  • 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 3202-0380 available by request