E544-0095 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-phenylacetamide

E544-0095 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-phenylacetamide
E544-0095 Screening compound: 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0095
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-phenylacetamide

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

E544-0095

Molecular Formula

C27H24N4O4S (C27 H24 N4 O4 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}-N~1~-phenylacetamide

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}-N-phenylacetamide

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCC(Nc2ccccc2)=O)nc(-c2cc(OC)ccc2)n1

InChI

InChI=1S/C27H24N4O4S/c1-16-24-21(18(14-32)13-28-16)12-22-26(35-24)30-25(17-7-6-10-20(11-17)34-2)31-27(22)36-15-23(33)29-19-8-4-3-5-9-19/h3-11,13,32H,12,14-15H2,1-2H3,(H,29,33)

InChI Key

JVIANAUTJGGKIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

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

4.796

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.63

Polar Surface Area

83.338

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with E544-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0095?
Check Price and Availability of E544-0095, 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 E544-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0095
  • 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 E544-0095 available by request