E544-0892 Screening compound: [4-[(2-chlorobenzyl)sulfanyl]-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

E544-0892 Screening compound: [4-[(2-chlorobenzyl)sulfanyl]-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
E544-0892 Screening compound: [4-[(2-chlorobenzyl)sulfanyl]-2-(4-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 E544-0892
[4-[(2-chlorobenzyl)sulfanyl]-2-(4-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

E544-0892

Molecular Formula

C26H22ClN3O3S (C26 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

(7-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-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(SCc(cccc2)c2Cl)nc(-c(cc2)ccc2OC)n1

InChI

InChI=1S/C26H22ClN3O3S/c1-15-23-20(18(13-31)12-28-15)11-21-25(33-23)29-24(16-7-9-19(32-2)10-8-16)30-26(21)34-14-17-5-3-4-6-22(17)27/h3-10,12,31H,11,13-14H2,1-2H3

InChI Key

YEPOHTHIQVDBHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

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

6.171

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-6.03

Polar Surface Area

60.188

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E544-0892 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E544-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0892?
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What is the minimum amount of E544-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0892
  • 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 E544-0892 available by request