D023-0018 Screening compound: {3-[3-(4-chlorobenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}(phenyl)methanone

D023-0018 Screening compound: {3-[3-(4-chlorobenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}(phenyl)methanone
D023-0018 Screening compound: {3-[3-(4-chlorobenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0018
{3-[3-(4-chlorobenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}(phenyl)methanone

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

D023-0018

Molecular Formula

C23H21ClN6O2 (C23 H21 ClN6 O2)

Compound Name

{3-[3-(4-chlorobenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}(phenyl)methanone

IUPAC name

5-(1-benzoylpiperidin-3-yl)-3-[(4-chlorophenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc(cc3)ccc3Cl)c2nc(C(CCC2)CN2C(c2ccccc2)=O)n1

InChI

InChI=1S/C23H21ClN6O2/c24-18-10-8-15(9-11-18)13-30-21-19(27-28-30)22(31)26-20(25-21)17-7-4-12-29(14-17)23(32)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,25,26,31)/t17-/m0/s1

InChI Key

MDAGRPKSVHDQLL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14810979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

2.894

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-3.32

Polar Surface Area

79.135

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

D023-0018 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D023-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0018?
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What is the minimum amount of D023-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0018
  • 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 D023-0018 available by request