8015-3091 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-2,3-dihydro-1H-indole

8015-3091 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-2,3-dihydro-1H-indole
8015-3091 Screening compound: 1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3091
1-{3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-2,3-dihydro-1H-indole

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

8015-3091

Molecular Formula

C19H16N6 (C19 H16 N6)

Compound Name

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

IUPAC name

1-{3-benzyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}-23-dihydro-1H-indole

SMILES

C(c1ccccc1)n1nnc2c1ncnc2N(CC1)c2c1cccc2

InChI

InChI=1S/C19H16N6/c1-2-6-14(7-3-1)12-25-19-17(22-23-25)18(20-13-21-19)24-11-10-15-8-4-5-9-16(15)24/h1-9,13H,10-12H2

InChI Key

WKMZYYGTJZCIOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.38

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

3.297

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.28

Polar Surface Area

49.520

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8015-3091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3091?
Check Price and Availability of 8015-3091, 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 8015-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3091
  • 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 8015-3091 available by request