D297-0019 Screening compound: 1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one

D297-0019 Screening compound: 1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one
D297-0019 Screening compound: 1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D297-0019
1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-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

D297-0019

Molecular Formula

C28H32N6O2 (C28 H32 N6 O2)

Compound Name

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

IUPAC name

1-(4-{3-[(25-dimethylphenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one

SMILES

CC(C(N(CC1)CCC1c1nc(O)c2nnn(Cc3c(C)ccc(C)c3)c2n1)=O)c1ccc(C)cc1

InChI

InChI=1S/C28H32N6O2/c1-17-6-9-21(10-7-17)20(4)28(36)33-13-11-22(12-14-33)25-29-26-24(27(35)30-25)31-32-34(26)16-23-15-18(2)5-8-19(23)3/h5-10,15,20,22H,11-14,16H2,1-4H3,(H,29,30,35)/t20-/m1/s1

InChI Key

OPKJPYVUTPYKCE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14817078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.42

Polar Surface Area

79.202

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

D297-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D297-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D297-0019?
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What is the minimum amount of D297-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D297-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D297-0019
  • 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 D297-0019 available by request