D023-0053 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0053 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0053 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0053
5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(3-methoxyphenyl)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

D023-0053

Molecular Formula

C24H23ClN6O3 (C24 H23 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(Cn(c2nc(C(CCC3)CN3C(c(cccc3)c3Cl)=O)n3)nnc2c3O)c1

InChI

InChI=1S/C24H23ClN6O3/c1-34-17-8-4-6-15(12-17)13-31-22-20(28-29-31)23(32)27-21(26-22)16-7-5-11-30(14-16)24(33)18-9-2-3-10-19(18)25/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,26,27,32)/t16-/m0/s1

InChI Key

CYBMUTHJOSTTOV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14811002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.874

Distribution Coefficient, logD

2.069

Water Solubility, LogSw

-3.37

Polar Surface Area

86.679

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D023-0053 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D023-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0053?
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What is the minimum amount of D023-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0053
  • 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 D023-0053 available by request