E544-0126 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-morpholino-1-ethanone

E544-0126 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-morpholino-1-ethanone
E544-0126 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0126
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-morpholino-1-ethanone

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

E544-0126

Molecular Formula

C25H26N4O5S (C25 H26 N4 O5 S)

Compound Name

2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-morpholino-1-ethanone

IUPAC name

2-{[11-(hydroxymethyl)-5-(3-methoxyphenyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-7-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCC(N2CCOCC2)=O)nc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C25H26N4O5S/c1-15-22-19(17(13-30)12-26-15)11-20-24(34-22)27-23(16-4-3-5-18(10-16)32-2)28-25(20)35-14-21(31)29-6-8-33-9-7-29/h3-5,10,12,30H,6-9,11,13-14H2,1-2H3

InChI Key

MQWIMUJPKDQFJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.21

Polar Surface Area

84.489

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E544-0126 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E544-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0126?
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What is the minimum amount of E544-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0126
  • 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 E544-0126 available by request