D439-6246 Screening compound: 2-(2,4-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}acetamide

D439-6246 Screening compound: 2-(2,4-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}acetamide
D439-6246 Screening compound: 2-(2,4-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-6246
2-(2,4-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}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

D439-6246

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

2-(2,4-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}acetamide

IUPAC name

2-(24-dimethylphenoxy)-N-{2-[({7-oxo-1-propyl-1H7H-[124]triazolo[15-a]pyrimidin-5-yl}methyl)sulfanyl]phenyl}acetamide

SMILES

CCCN(C=NC1=NC(CSc(cccc2)c2NC(COc2c(C)cc(C)cc2)=O)=C2)N1C2=O

InChI

InChI=1S/C25H27N5O3S/c1-4-11-29-16-26-25-27-19(13-24(32)30(25)29)15-34-22-8-6-5-7-20(22)28-23(31)14-33-21-10-9-17(2)12-18(21)3/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,28,31)

InChI Key

YTPCOPIFPCVCNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.610

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.68

Polar Surface Area

70.262

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with D439-6246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-6246?
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What is the minimum amount of D439-6246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-6246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-6246
  • 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 D439-6246 available by request