D122-0064 Screening compound: tert-butyl 4-{3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate

D122-0064 Screening compound: tert-butyl 4-{3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate
D122-0064 Screening compound: tert-butyl 4-{3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D122-0064
tert-butyl 4-{3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate

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

D122-0064

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

tert-butyl 4-{3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{3-benzyl-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c1nc(O)c2nnn(Cc3ccccc3)c2n1)=O

InChI

InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26-11-9-15(10-12-26)17-22-18-16(19(28)23-17)24-25-27(18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,23,28)

InChI Key

INUPKMCEVKWOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.11

Polar Surface Area

84.636

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

D122-0064 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D122-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D122-0064?
Check Price and Availability of D122-0064, 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 D122-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D122-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D122-0064
  • 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 D122-0064 available by request