D203-0054 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-fluorophenyl)ethan-1-one

D203-0054 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-fluorophenyl)ethan-1-one
D203-0054 Screening compound: 1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0054
1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-fluorophenyl)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

D203-0054

Molecular Formula

C24H22ClFN6O2 (C24 H22 ClFN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nnn(Cc3cccc(Cl)c3)c2nc(C(CC2)CCN2C(Cc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C24H22ClFN6O2/c25-18-3-1-2-16(12-18)14-32-23-21(29-30-32)24(34)28-22(27-23)17-8-10-31(11-9-17)20(33)13-15-4-6-19(26)7-5-15/h1-7,12,17H,8-11,13-14H2,(H,27,28,34)

InChI Key

DLWYBYBKSLZEKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.93

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

3.332

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.35

Polar Surface Area

78.675

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D203-0054 in Drug Discovery

Included in Screening Libraries

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 D203-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0054?
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What is the minimum amount of D203-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0054
  • 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 D203-0054 available by request