8015-3090 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azepane

8015-3090 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azepane
8015-3090 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3090
1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azepane

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

8015-3090

Molecular Formula

C17H20N6 (C17 H20 N6)

Compound Name

1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}azepane

IUPAC name

1-{3-benzyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}azepane

SMILES

C(c1ccccc1)n1nnc2c1ncnc2N1CCCCCC1

InChI

InChI=1S/C17H20N6/c1-2-7-11-22(10-6-1)16-15-17(19-13-18-16)23(21-20-15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,1-2,6-7,10-12H2

InChI Key

DMVHTWWJETVRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.06

Polar Surface Area

50.820

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8015-3090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-3090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3090?
Check Price and Availability of 8015-3090, 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 8015-3090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3090
  • 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 8015-3090 available by request