D122-0073 Screening compound: 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0073 Screening compound: 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0073 Screening compound: 5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0073
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

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

D122-0073

Molecular Formula

C23H20F2N6O2 (C23 H20 F2 N6 O2)

Compound Name

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

IUPAC name

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc3cc(F)ccc3)c2nc(C(CC2)CCN2C(c(cccc2)c2F)=O)n1

InChI

InChI=1S/C23H20F2N6O2/c24-16-5-3-4-14(12-16)13-31-21-19(28-29-31)22(32)27-20(26-21)15-8-10-30(11-9-15)23(33)17-6-1-2-7-18(17)25/h1-7,12,15H,8-11,13H2,(H,26,27,32)

InChI Key

DRGLYLAAFVFWDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-3.02

Polar Surface Area

79.202

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D122-0073 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

C-Met Library (15277 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0073?
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What is the minimum amount of D122-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0073
  • 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 D122-0073 available by request