D203-0075 Screening compound: methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate

D203-0075 Screening compound: methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate
D203-0075 Screening compound: methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0075
methyl 4-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carbonyl)benzoate

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

D203-0075

Molecular Formula

C25H23FN6O4 (C25 H23 FN6 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1C(N(CC1)CCC1c1nc(O)c2nnn(Cc(cc3)ccc3F)c2n1)=O)=O

InChI

InChI=1S/C25H23FN6O4/c1-36-25(35)18-6-4-17(5-7-18)24(34)31-12-10-16(11-13-31)21-27-22-20(23(33)28-21)29-30-32(22)14-15-2-8-19(26)9-3-15/h2-9,16H,10-14H2,1H3,(H,27,28,33)

InChI Key

QPRWZKVWGMKABE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.488

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-2.35

Polar Surface Area

100.376

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D203-0075 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)

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
  • 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 D203-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0075?
Check Price and Availability of D203-0075, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D203-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0075
  • 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 D203-0075 available by request