D122-0091 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0091 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0091 Screening compound: 5-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0091
5-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-[(2-methylphenyl)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

D122-0091

Molecular Formula

C24H23ClN6O2 (C24 H23 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn(c2nc(C(CC3)CCN3C(c(cccc3)c3Cl)=O)n3)nnc2c3O)cccc1

InChI

InChI=1S/C24H23ClN6O2/c1-15-6-2-3-7-17(15)14-31-22-20(28-29-31)23(32)27-21(26-22)16-10-12-30(13-11-16)24(33)18-8-4-5-9-19(18)25/h2-9,16H,10-14H2,1H3,(H,26,27,32)

InChI Key

KZVSTUGDBZFDMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

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

3.573

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.63

Polar Surface Area

79.202

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D122-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D122-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0091?
Check Price and Availability of D122-0091, 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 D122-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0091
  • 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 D122-0091 available by request