D203-0117 Screening compound: 5-[1-(5-fluoro-2-methylbenzenesulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D203-0117 Screening compound: 5-[1-(5-fluoro-2-methylbenzenesulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D203-0117 Screening compound: 5-[1-(5-fluoro-2-methylbenzenesulfonyl)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 D203-0117
5-[1-(5-fluoro-2-methylbenzenesulfonyl)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

D203-0117

Molecular Formula

C23H22F2N6O3S (C23 H22 F2 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(F)c1)c1S(N(CC1)CCC1c1nc(O)c2nnn(Cc(cccc3)c3F)c2n1)(=O)=O

InChI

InChI=1S/C23H22F2N6O3S/c1-14-6-7-17(24)12-19(14)35(33,34)30-10-8-15(9-11-30)21-26-22-20(23(32)27-21)28-29-31(22)13-16-4-2-3-5-18(16)25/h2-7,12,15H,8-11,13H2,1H3,(H,26,27,32)

InChI Key

OZGMHLKNMOIFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.53

Polar Surface Area

94.265

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D203-0117 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 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
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D203-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0117?
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What is the minimum amount of D203-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0117
  • 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 D203-0117 available by request