D203-0104 Screening compound: 3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile

D203-0104 Screening compound: 3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile
D203-0104 Screening compound: 3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0104
3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile

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

D203-0104

Molecular Formula

C24H20FN7O2 (C24 H20 FN7 O2)

Compound Name

3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile

IUPAC name

3-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzonitrile

SMILES

N#Cc1cccc(C(N(CC2)CCC2c2nc(O)c3nnn(Cc(cc4)ccc4F)c3n2)=O)c1

InChI

InChI=1S/C24H20FN7O2/c25-19-6-4-15(5-7-19)14-32-22-20(29-30-32)23(33)28-21(27-22)17-8-10-31(11-9-17)24(34)18-3-1-2-16(12-18)13-26/h1-7,12,17H,8-11,14H2,(H,27,28,33)

InChI Key

OYBTVYMDBANDEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.47

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

1.934

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-2.18

Polar Surface Area

96.258

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D203-0104 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D203-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0104?
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What is the minimum amount of D203-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0104
  • 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 D203-0104 available by request