D122-0046 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

D122-0046 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
D122-0046 Screening compound: 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-3-yl)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 D122-0046
2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(thiophen-3-yl)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

D122-0046

Molecular Formula

C22H21FN6O2S (C22 H21 FN6 O2 S)

Compound Name

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

SMILES

Oc1c2nnn(Cc3cscc3)c2nc(C(CC2)CCN2C(Cc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C22H21FN6O2S/c23-17-3-1-14(2-4-17)11-18(30)28-8-5-16(6-9-28)20-24-21-19(22(31)25-20)26-27-29(21)12-15-7-10-32-13-15/h1-4,7,10,13,16H,5-6,8-9,11-12H2,(H,24,25,31)

InChI Key

ZGYNBPCLMLKBMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

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

2.389

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.40

Polar Surface Area

79.693

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D122-0046 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

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

References: we are preparing a list of scientific research reports with D122-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0046?
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What is the minimum amount of D122-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0046
  • 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 D122-0046 available by request