E544-0853 Screening compound: {2-(4-chlorophenyl)-9-methyl-4-[(2-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol

E544-0853 Screening compound: {2-(4-chlorophenyl)-9-methyl-4-[(2-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol
E544-0853 Screening compound: {2-(4-chlorophenyl)-9-methyl-4-[(2-methylbenzyl)sulfanyl]-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0853
{2-(4-chlorophenyl)-9-methyl-4-[(2-methylbenzyl)sulfanyl]-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

E544-0853

Molecular Formula

C26H22ClN3O2S (C26 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

[5-(4-chlorophenyl)-14-methyl-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

Cc1c(CSc2c(Cc(c(CO)cnc3C)c3O3)c3nc(-c(cc3)ccc3Cl)n2)cccc1

InChI

InChI=1S/C26H22ClN3O2S/c1-15-5-3-4-6-18(15)14-33-26-22-11-21-19(13-31)12-28-16(2)23(21)32-25(22)29-24(30-26)17-7-9-20(27)10-8-17/h3-10,12,31H,11,13-14H2,1-2H3

InChI Key

LKMSSGNFNATWFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

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

6.925

Distribution Coefficient, logD

6.922

Water Solubility, LogSw

-6.51

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with E544-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0853?
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What is the minimum amount of E544-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0853
  • 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 E544-0853 available by request