D122-0058 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

D122-0058 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
D122-0058 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0058
2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)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

D122-0058

Molecular Formula

C25H25FN6O3 (C25 H25 FN6 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(Cn(c2nc(C(CC3)CCN3C(Cc(cc3)ccc3F)=O)n3)nnc2c3O)cccc1

InChI

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

InChI Key

KAQNKTXLZZAIJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812169

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

2.801

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.96

Polar Surface Area

86.305

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D122-0058 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 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
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0058?
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What is the minimum amount of D122-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0058
  • 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 D122-0058 available by request