3202-0298 Screening compound: 5-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3202-0298 Screening compound: 5-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3202-0298 Screening compound: 5-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0298
5-[(4-{2-[4-(butan-2-yl)phenoxy]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

3202-0298

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

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

IUPAC name

5-[(4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-3-ethoxyphenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCC(C)c(cc1)ccc1OCCOc(ccc(C=C(C(NC(N1)=S)=O)C1=O)c1)c1OCC

InChI

InChI=1S/C25H28N2O5S/c1-4-16(3)18-7-9-19(10-8-18)31-12-13-32-21-11-6-17(15-22(21)30-5-2)14-20-23(28)26-25(33)27-24(20)29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,28,29,33)/t16-/m0/s1

InChI Key

BAQNJWPLSBOWTA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02017661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-5.01

Polar Surface Area

71.487

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

3202-0298 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 3202-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0298?
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What is the minimum amount of 3202-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0298
  • 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 3202-0298 available by request