D327-0159 Screening compound: 1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one

D327-0159 Screening compound: 1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one
D327-0159 Screening compound: 1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D327-0159
1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one

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

D327-0159

Molecular Formula

C25H26N6O3 (C25 H26 N6 O3)

Compound Name

1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one

IUPAC name

1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one

SMILES

Cc1ccc(Cn(c2nc(C(CCC3)CN3C(COc3ccccc3)=O)n3)nnc2c3O)cc1

InChI

InChI=1S/C25H26N6O3/c1-17-9-11-18(12-10-17)14-31-24-22(28-29-31)25(33)27-23(26-24)19-6-5-13-30(15-19)21(32)16-34-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3,(H,26,27,33)/t19-/m0/s1

InChI Key

IYCFVNYCQIRLJD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14819279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-2.54

Polar Surface Area

86.107

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D327-0159 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D327-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D327-0159?
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What is the minimum amount of D327-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D327-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D327-0159
  • 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 D327-0159 available by request