D023-0044 Screening compound: 3-(2-FLUOROBENZYL)-5-[1-(PHENYLSULFONYL)-3-PIPERIDYL]-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL

D023-0044 Screening compound: 3-(2-FLUOROBENZYL)-5-[1-(PHENYLSULFONYL)-3-PIPERIDYL]-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL
D023-0044 Screening compound: 3-(2-FLUOROBENZYL)-5-[1-(PHENYLSULFONYL)-3-PIPERIDYL]-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0044
3-(2-FLUOROBENZYL)-5-[1-(PHENYLSULFONYL)-3-PIPERIDYL]-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

D023-0044

Molecular Formula

C22H21FN6O3S (C22 H21 FN6 O3 S)

Compound Name

3-(2-FLUOROBENZYL)-5-[1-(PHENYLSULFONYL)-3-PIPERIDYL]-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL

IUPAC name

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

SMILES

Oc1c2nnn(Cc(cccc3)c3F)c2nc(C(CCC2)CN2S(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C22H21FN6O3S/c23-18-11-5-4-7-15(18)14-29-21-19(26-27-29)22(30)25-20(24-21)16-8-6-12-28(13-16)33(31,32)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2,(H,24,25,30)/t16-/m0/s1

InChI Key

UPYNRYIHUPWBRN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14810995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-2.74

Polar Surface Area

94.198

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

D023-0044 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D023-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0044?
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What is the minimum amount of D023-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0044
  • 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 D023-0044 available by request