E544-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

E544-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
E544-0104 Screening compound: N~1~-(3,5-dimethylphenyl)-2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-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 E544-0104
N~1~-(3,5-dimethylphenyl)-2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-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

E544-0104

Molecular Formula

C29H28N4O4S (C29 H28 N4 O4 S)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-2-{[11-(hydroxymethyl)-5-(3-methoxyphenyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-7-yl]sulfanyl}acetamide

SMILES

Cc1cc(NC(CSc2nc(-c3cc(OC)ccc3)nc3c2Cc(c(CO)cnc2C)c2O3)=O)cc(C)c1

InChI

InChI=1S/C29H28N4O4S/c1-16-8-17(2)10-21(9-16)31-25(35)15-38-29-24-12-23-20(14-34)13-30-18(3)26(23)37-28(24)32-27(33-29)19-6-5-7-22(11-19)36-4/h5-11,13,34H,12,14-15H2,1-4H3,(H,31,35)

InChI Key

RSJXPBZFOHJWPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.681

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.37

Polar Surface Area

83.338

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with E544-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0104?
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What is the minimum amount of E544-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0104
  • 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 E544-0104 available by request