2958-7486 Screening compound: ethyl 2-[(2-{2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate

2958-7486 Screening compound: ethyl 2-[(2-{2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate
2958-7486 Screening compound: ethyl 2-[(2-{2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7486
ethyl 2-[(2-{2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate

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

2958-7486

Molecular Formula

C18H20N2O7S (C18 H20 N2 O7 S)

Compound Name

ethyl 2-[(2-{2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate

IUPAC name

ethyl 2-[(2-{2-methoxy-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenoxy}ethyl)sulfanyl]acetate

SMILES

CCOC(CSCCOc(ccc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1OC)=O

InChI

InChI=1S/C18H20N2O7S/c1-3-26-15(21)10-28-7-6-27-13-5-4-11(9-14(13)25-2)8-12-16(22)19-18(24)20-17(12)23/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,19,20,22,23,24)

InChI Key

OXNFLBPOLNQSIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.211

Distribution Coefficient, logD

0.864

Water Solubility, LogSw

-2.33

Polar Surface Area

97.937

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2958-7486 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2958-7486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7486?
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What is the minimum amount of 2958-7486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7486
  • 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 2958-7486 available by request