E544-0857 Screening compound: {2-(4-chlorophenyl)-4-[(4-ethylbenzyl)sulfanyl]-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

E544-0857 Screening compound: {2-(4-chlorophenyl)-4-[(4-ethylbenzyl)sulfanyl]-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol
E544-0857 Screening compound: {2-(4-chlorophenyl)-4-[(4-ethylbenzyl)sulfanyl]-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0857
{2-(4-chlorophenyl)-4-[(4-ethylbenzyl)sulfanyl]-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

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

E544-0857

Molecular Formula

C27H24ClN3O2S (C27 H24 ClN3 O2 S)

Compound Name

{2-(4-chlorophenyl)-4-[(4-ethylbenzyl)sulfanyl]-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

IUPAC name

[5-(4-chlorophenyl)-7-{[(4-ethylphenyl)methyl]sulfanyl}-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-11-yl]methanol

SMILES

CCc1ccc(CSc2c(Cc(c(CO)cnc3C)c3O3)c3nc(-c(cc3)ccc3Cl)n2)cc1

InChI

InChI=1S/C27H24ClN3O2S/c1-3-17-4-6-18(7-5-17)15-34-27-23-12-22-20(14-32)13-29-16(2)24(22)33-26(23)30-25(31-27)19-8-10-21(28)11-9-19/h4-11,13,32H,3,12,14-15H2,1-2H3

InChI Key

PAHXPHGEPWIHBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.778

Distribution Coefficient, logD

6.775

Water Solubility, LogSw

-6.59

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E544-0857 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E544-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0857?
Check Price and Availability of E544-0857, 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 E544-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0857
  • 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 E544-0857 available by request