D203-0102 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D203-0102 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D203-0102 Screening compound: 5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0102
5-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-3-[(2-fluorophenyl)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

D203-0102

Molecular Formula

C24H21FN6O4 (C24 H21 FN6 O4)

Compound Name

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

IUPAC name

5-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Oc1c2nnn(Cc(cccc3)c3F)c2nc(C(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)n1

InChI

InChI=1S/C24H21FN6O4/c25-17-4-2-1-3-16(17)12-31-22-20(28-29-31)23(32)27-21(26-22)14-7-9-30(10-8-14)24(33)15-5-6-18-19(11-15)35-13-34-18/h1-6,11,14H,7-10,12-13H2,(H,26,27,32)

InChI Key

RRCCZXXHFUMANN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.47

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

2.519

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.71

Polar Surface Area

96.318

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D203-0102 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • 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 D203-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0102?
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What is the minimum amount of D203-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0102
  • 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 D203-0102 available by request