D203-0060 Screening compound: 5-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D203-0060 Screening compound: 5-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D203-0060 Screening compound: 5-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0060
5-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)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

D203-0060

Molecular Formula

C26H26N6O4 (C26 H26 N6 O4)

Compound Name

5-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

IUPAC name

5-[1-(23-dihydro-14-benzodioxine-6-carbonyl)piperidin-4-yl]-3-[(4-methylphenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Cc1ccc(Cn(c2nc(C(CC3)CCN3C(c(cc3)cc4c3OCCO4)=O)n3)nnc2c3O)cc1

InChI

InChI=1S/C26H26N6O4/c1-16-2-4-17(5-3-16)15-32-24-22(29-30-32)25(33)28-23(27-24)18-8-10-31(11-9-18)26(34)19-6-7-20-21(14-19)36-13-12-35-20/h2-7,14,18H,8-13,15H2,1H3,(H,27,28,33)

InChI Key

UAECOZTWSSLNBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.769

Distribution Coefficient, logD

1.315

Water Solubility, LogSw

-2.15

Polar Surface Area

95.025

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

D203-0060 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 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
  • 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 D203-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0060?
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What is the minimum amount of D203-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0060
  • 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 D203-0060 available by request