E544-0074 Screening compound: N~1~-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

E544-0074 Screening compound: N~1~-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
E544-0074 Screening compound: N~1~-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0074
N~1~-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

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

E544-0074

Molecular Formula

C29H28N4O4S (C29 H28 N4 O4 S)

Compound Name

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

IUPAC name

N-(2-ethylphenyl)-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}acetamide

SMILES

CCc(cccc1)c1NC(CSc1nc(-c(cccc2)c2OC)nc2c1Cc(c(CO)cnc1C)c1O2)=O

InChI

InChI=1S/C29H28N4O4S/c1-4-18-9-5-7-11-23(18)31-25(35)16-38-29-22-13-21-19(15-34)14-30-17(2)26(21)37-28(22)32-27(33-29)20-10-6-8-12-24(20)36-3/h5-12,14,34H,4,13,15-16H2,1-3H3,(H,31,35)

InChI Key

YMLNRWGDEXHQNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.30

Polar Surface Area

82.726

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

E544-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E544-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0074?
Check Price and Availability of E544-0074, 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 E544-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0074
  • 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 E544-0074 available by request