E544-0049 Screening compound: [4-(benzylsulfanyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

E544-0049 Screening compound: [4-(benzylsulfanyl)-2-(2-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
E544-0049 Screening compound: [4-(benzylsulfanyl)-2-(2-methoxyphenyl)-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 E544-0049
[4-(benzylsulfanyl)-2-(2-methoxyphenyl)-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

E544-0049

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCc2ccccc2)nc(-c(cccc2)c2OC)n1

InChI

InChI=1S/C26H23N3O3S/c1-16-23-20(18(14-30)13-27-16)12-21-25(32-23)28-24(19-10-6-7-11-22(19)31-2)29-26(21)33-15-17-8-4-3-5-9-17/h3-11,13,30H,12,14-15H2,1-2H3

InChI Key

DNJQDENEIOTSJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.43

Polar Surface Area

60.275

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with E544-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0049?
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What is the minimum amount of E544-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0049
  • 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 E544-0049 available by request