D122-0081 Screening compound: 3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0081 Screening compound: 3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0081 Screening compound: 3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0081
3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzenesulfonyl)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

D122-0081

Molecular Formula

C22H20ClFN6O3S (C22 H20 ClFN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nnn(Cc(cc3)ccc3Cl)c2nc(C(CC2)CCN2S(c(cccc2)c2F)(=O)=O)n1

InChI

InChI=1S/C22H20ClFN6O3S/c23-16-7-5-14(6-8-16)13-30-21-19(27-28-30)22(31)26-20(25-21)15-9-11-29(12-10-15)34(32,33)18-4-2-1-3-17(18)24/h1-8,15H,9-13H2,(H,25,26,31)

InChI Key

RCCSELMRRZFKON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.23

Polar Surface Area

94.265

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D122-0081 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 D122-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0081?
Check Price and Availability of D122-0081, 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 D122-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0081
  • 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 D122-0081 available by request