D122-0014 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol

D122-0014 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
D122-0014 Screening compound: 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0014
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)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

D122-0014

Molecular Formula

C23H21F3N6O4S (C23 H21 F3 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nnn(Cc(cc3)ccc3OC(F)(F)F)c2nc(C(CCC2)CN2S(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C23H21F3N6O4S/c24-23(25,26)36-17-10-8-15(9-11-17)13-32-21-19(29-30-32)22(33)28-20(27-21)16-5-4-12-31(14-16)37(34,35)18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-14H2,(H,27,28,33)/t16-/m0/s1

InChI Key

LHXPOJCNIPMOTM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14812131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.112

Water Solubility, LogSw

-3.64

Polar Surface Area

100.135

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D122-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D122-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0014?
Check Price and Availability of D122-0014, 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 D122-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0014
  • 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 D122-0014 available by request