D023-0003 Screening compound: 3-[(3,5-difluorophenyl)methyl]-5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0003 Screening compound: 3-[(3,5-difluorophenyl)methyl]-5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0003 Screening compound: 3-[(3,5-difluorophenyl)methyl]-5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0003
3-[(3,5-difluorophenyl)methyl]-5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-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

D023-0003

Molecular Formula

C25H24F2N6O2 (C25 H24 F2 N6 O2)

Compound Name

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

IUPAC name

3-[(35-difluorophenyl)methyl]-5-[1-(25-dimethylbenzoyl)piperidin-4-yl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

Cc1cc(C(N(CC2)CCC2c2nc(O)c3nnn(Cc4cc(F)cc(F)c4)c3n2)=O)c(C)cc1

InChI

InChI=1S/C25H24F2N6O2/c1-14-3-4-15(2)20(9-14)25(35)32-7-5-17(6-8-32)22-28-23-21(24(34)29-22)30-31-33(23)13-16-10-18(26)12-19(27)11-16/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,28,29,34)

InChI Key

VKZKQZVJCUAWER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.71

Polar Surface Area

79.202

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D023-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 D023-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0003?
Check Price and Availability of D023-0003, 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 D023-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0003
  • 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 D023-0003 available by request