D122-0084 Screening compound: 5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3-{[3-(trifluoromethyl)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0084 Screening compound: 5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3-{[3-(trifluoromethyl)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0084 Screening compound: 5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3-{[3-(trifluoromethyl)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0084
5-[1-(2-fluorobenzenesulfonyl)piperidin-4-yl]-3-{[3-(trifluoromethyl)phenyl]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

D122-0084

Molecular Formula

C23H20F4N6O3S (C23 H20 F4 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nnn(Cc3cc(C(F)(F)F)ccc3)c2nc(C(CC2)CCN2S(c(cccc2)c2F)(=O)=O)n1

InChI

InChI=1S/C23H20F4N6O3S/c24-17-6-1-2-7-18(17)37(35,36)32-10-8-15(9-11-32)20-28-21-19(22(34)29-20)30-31-33(21)13-14-4-3-5-16(12-14)23(25,26)27/h1-7,12,15H,8-11,13H2,(H,28,29,34)

InChI Key

YDQWUFQFRNDIEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.43

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

30.40

D122-0084 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0084?
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What is the minimum amount of D122-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0084
  • 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 D122-0084 available by request