E544-0279 Screening compound: 2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide

E544-0279 Screening compound: 2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide
E544-0279 Screening compound: 2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E544-0279
2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N~1~-(2,3-dimethylphenyl)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

E544-0279

Molecular Formula

C28H25ClN4O3S (C28 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

2-{[5-(4-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4613-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3(8)461113-hexaen-7-yl]sulfanyl}-N-(23-dimethylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc2c(Cc(c(CO)cnc3C)c3O3)c3nc(-c(cc3)ccc3Cl)n2)=O)c1C

InChI

InChI=1S/C28H25ClN4O3S/c1-15-5-4-6-23(16(15)2)31-24(35)14-37-28-22-11-21-19(13-34)12-30-17(3)25(21)36-27(22)32-26(33-28)18-7-9-20(29)10-8-18/h4-10,12,34H,11,13-14H2,1-3H3,(H,31,35)

InChI Key

GXGAWMJFPVIEAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.153

Distribution Coefficient, logD

6.150

Water Solubility, LogSw

-6.19

Polar Surface Area

75.096

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with E544-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E544-0279?
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What is the minimum amount of E544-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E544-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E544-0279
  • 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 E544-0279 available by request