E544-0057 Screening compound: 2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-mesitylacetamide

E544-0057 Screening compound: 2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-mesitylacetamide
E544-0057 Screening compound: 2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0057
2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-mesitylacetamide

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

E544-0057

Molecular Formula

C30H30N4O4S (C30 H30 N4 O4 S)

Compound Name

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

IUPAC name

2-{[11-(hydroxymethyl)-5-(2-methoxyphenyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-7-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nc(-c(cccc2)c2OC)nc2c1Cc(c(CO)cnc1C)c1O2)=O

InChI

InChI=1S/C30H30N4O4S/c1-16-10-17(2)26(18(3)11-16)32-25(36)15-39-30-23-12-22-20(14-35)13-31-19(4)27(22)38-29(23)33-28(34-30)21-8-6-7-9-24(21)37-5/h6-11,13,35H,12,14-15H2,1-5H3,(H,32,36)

InChI Key

JASDRXVVEJHYMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.33

Polar Surface Area

82.029

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E544-0057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E544-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0057?
Check Price and Availability of E544-0057, 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 E544-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0057
  • 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 E544-0057 available by request