D023-0035 Screening compound: 3-[(2-methoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D023-0035 Screening compound: 3-[(2-methoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D023-0035 Screening compound: 3-[(2-methoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D023-0035
3-[(2-methoxyphenyl)methyl]-5-[1-(4-methylbenzoyl)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

D023-0035

Molecular Formula

C25H26N6O3 (C25 H26 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(N(CC1)CCC1c1nc(O)c2nnn(Cc(cccc3)c3OC)c2n1)=O

InChI

InChI=1S/C25H26N6O3/c1-16-7-9-18(10-8-16)25(33)30-13-11-17(12-14-30)22-26-23-21(24(32)27-22)28-29-31(23)15-19-5-3-4-6-20(19)34-2/h3-10,17H,11-15H2,1-2H3,(H,26,27,32)

InChI Key

VRTFGHPYBQPDIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

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

2.916

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-3.00

Polar Surface Area

86.832

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D023-0035 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D023-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D023-0035?
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What is the minimum amount of D023-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D023-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D023-0035
  • 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 D023-0035 available by request