E544-0880 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(4-fluorophenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol

E544-0880 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(4-fluorophenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-6-yl]methanol
E544-0880 Screening compound: [4-[(3-fluorobenzyl)sulfanyl]-2-(4-fluorophenyl)-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 E544-0880
[4-[(3-fluorobenzyl)sulfanyl]-2-(4-fluorophenyl)-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

E544-0880

Molecular Formula

C25H19F2N3O2S (C25 H19 F2 N3 O2 S)

Compound Name

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

IUPAC name

[5-(4-fluorophenyl)-7-{[(3-fluorophenyl)methyl]sulfanyl}-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(SCc2cc(F)ccc2)nc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C25H19F2N3O2S/c1-14-22-20(17(12-31)11-28-14)10-21-24(32-22)29-23(16-5-7-18(26)8-6-16)30-25(21)33-13-15-3-2-4-19(27)9-15/h2-9,11,31H,10,12-13H2,1H3

InChI Key

CXOOPWZUBLCLHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

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

5.681

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.48

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E544-0880 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E544-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0880?
Check Price and Availability of E544-0880, 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 E544-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0880
  • 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 E544-0880 available by request