D297-0051 Screening compound: 1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one

D297-0051 Screening compound: 1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one
D297-0051 Screening compound: 1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D297-0051
1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-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

D297-0051

Molecular Formula

C25H25FN6O3 (C25 H25 FN6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCC(N(CC1)CCC1c1nc(O)c2nnn(Cc(cc3)ccc3F)c2n1)=O

InChI

InChI=1S/C25H25FN6O3/c1-16-2-8-20(9-3-16)35-15-21(33)31-12-10-18(11-13-31)23-27-24-22(25(34)28-23)29-30-32(24)14-17-4-6-19(26)7-5-17/h2-9,18H,10-15H2,1H3,(H,27,28,34)

InChI Key

PNKNHESIUFQVRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

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

2.602

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-2.58

Polar Surface Area

86.174

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D297-0051 in Drug Discovery

Included in Screening Libraries

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)

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
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D297-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D297-0051?
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What is the minimum amount of D297-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D297-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D297-0051
  • 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 D297-0051 available by request