E544-0490 Screening compound: N~1~-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide

E544-0490 Screening compound: N~1~-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide
E544-0490 Screening compound: N~1~-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0490
N~1~-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide

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

E544-0490

Molecular Formula

C28H24F2N4O3S (C28 H24 F2 N4 O3 S)

Compound Name

N~1~-(4-fluorophenyl)-2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}butanamide

IUPAC name

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

SMILES

CCC(C(Nc(cc1)ccc1F)=O)Sc1nc(-c(cccc2)c2F)nc2c1Cc(c(CO)cnc1C)c1O2

InChI

InChI=1S/C28H24F2N4O3S/c1-3-23(26(36)32-18-10-8-17(29)9-11-18)38-28-21-12-20-16(14-35)13-31-15(2)24(20)37-27(21)33-25(34-28)19-6-4-5-7-22(19)30/h4-11,13,23,35H,3,12,14H2,1-2H3,(H,32,36)/t23-/m0/s1

InChI Key

KTGFMKFPVVGLMV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06745255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.51

Polar Surface Area

76.007

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

E544-0490 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 E544-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0490?
Check Price and Availability of E544-0490, 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 E544-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0490
  • 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 E544-0490 available by request