E544-0811 Screening compound: [9-methyl-4-[(2-methylbenzyl)sulfanyl]-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

E544-0811 Screening compound: [9-methyl-4-[(2-methylbenzyl)sulfanyl]-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
E544-0811 Screening compound: [9-methyl-4-[(2-methylbenzyl)sulfanyl]-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0811
[9-methyl-4-[(2-methylbenzyl)sulfanyl]-2-(4-methylphenyl)-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

E544-0811

Molecular Formula

C27H25N3O2S (C27 H25 N3 O2 S)

Compound Name

[9-methyl-4-[(2-methylbenzyl)sulfanyl]-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc(Oc2c(C3)c(CO)cnc2C)c3c(SCc2c(C)cccc2)n1

InChI

InChI=1S/C27H25N3O2S/c1-16-8-10-19(11-9-16)25-29-26-23(12-22-21(14-31)13-28-18(3)24(22)32-26)27(30-25)33-15-20-7-5-4-6-17(20)2/h4-11,13,31H,12,14-15H2,1-3H3

InChI Key

LVQGQIYLKMELEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.753

Distribution Coefficient, logD

6.750

Water Solubility, LogSw

-5.80

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E544-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0811?
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What is the minimum amount of E544-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0811
  • 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 E544-0811 available by request