D122-0097 Screening compound: 2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

D122-0097 Screening compound: 2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
D122-0097 Screening compound: 2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0097
2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

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

D122-0097

Molecular Formula

C26H30N6O2S (C26 H30 N6 O2 S)

Compound Name

2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

IUPAC name

2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one

SMILES

CC(C)(C)c1ccc(CC(N(CCC2)CC2c2nc(O)c3nnn(Cc4cccs4)c3n2)=O)cc1

InChI

InChI=1S/C26H30N6O2S/c1-26(2,3)19-10-8-17(9-11-19)14-21(33)31-12-4-6-18(15-31)23-27-24-22(25(34)28-23)29-30-32(24)16-20-7-5-13-35-20/h5,7-11,13,18H,4,6,12,14-16H2,1-3H3,(H,27,28,34)/t18-/m0/s1

InChI Key

DCCDKPKRTSJIHO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14812202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-4.09

Polar Surface Area

79.626

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

D122-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D122-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0097?
Check Price and Availability of D122-0097, 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 D122-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0097
  • 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 D122-0097 available by request