E544-0392 Screening compound: 2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

E544-0392 Screening compound: 2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
E544-0392 Screening compound: 2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0392
2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

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

E544-0392

Molecular Formula

C20H17FN4O3S (C20 H17 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ncc(CO)c(C2)c1Oc1c2c(SCC(N)=O)nc(-c(cc2)ccc2F)n1

InChI

InChI=1S/C20H17FN4O3S/c1-10-17-14(12(8-26)7-23-10)6-15-19(28-17)24-18(11-2-4-13(21)5-3-11)25-20(15)29-9-16(22)27/h2-5,7,26H,6,8-9H2,1H3,(H2,22,27)

InChI Key

PKBKAAXVAFINLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.04

Polar Surface Area

86.304

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E544-0392 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E544-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0392?
Check Price and Availability of E544-0392, 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 E544-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0392
  • 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 E544-0392 available by request