D203-0049 Screening compound: 3-[(3-chlorophenyl)methyl]-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D203-0049 Screening compound: 3-[(3-chlorophenyl)methyl]-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D203-0049 Screening compound: 3-[(3-chlorophenyl)methyl]-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0049
3-[(3-chlorophenyl)methyl]-5-[1-(4-ethoxybenzoyl)piperidin-4-yl]-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

D203-0049

Molecular Formula

C25H25ClN6O3 (C25 H25 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(N(CC1)CCC1c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1)=O

InChI

InChI=1S/C25H25ClN6O3/c1-2-35-20-8-6-18(7-9-20)25(34)31-12-10-17(11-13-31)22-27-23-21(24(33)28-22)29-30-32(23)15-16-4-3-5-19(26)14-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,27,28,33)

InChI Key

XHQYTKFHPIDQNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05708685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

2.939

Water Solubility, LogSw

-3.66

Polar Surface Area

86.326

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D203-0049 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D203-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0049?
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What is the minimum amount of D203-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0049
  • 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 D203-0049 available by request