D023-0031 Screening compound: 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0031 Screening compound: 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0031 Screening compound: 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0031
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)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

D023-0031

Molecular Formula

C24H23FN6O3 (C24 H23 FN6 O3)

Compound Name

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

IUPAC name

5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol

SMILES

COc1ccc(Cn(c2nc(C(CC3)CCN3C(c(cc3)ccc3F)=O)n3)nnc2c3O)cc1

InChI

InChI=1S/C24H23FN6O3/c1-34-19-8-2-15(3-9-19)14-31-22-20(28-29-31)23(32)27-21(26-22)16-10-12-30(13-11-16)24(33)17-4-6-18(25)7-5-17/h2-9,16H,10-14H2,1H3,(H,26,27,32)

InChI Key

VCONCNHQZYOFEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

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

2.380

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.47

Polar Surface Area

86.746

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D023-0031 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D023-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0031?
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What is the minimum amount of D023-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0031
  • 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 D023-0031 available by request