8017-7645 Screening compound: 3-benzyl-7-[3,4-dihydro-2(1H)-isoquinolinyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine

8017-7645 Screening compound: 3-benzyl-7-[3,4-dihydro-2(1H)-isoquinolinyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
8017-7645 Screening compound: 3-benzyl-7-[3,4-dihydro-2(1H)-isoquinolinyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7645
3-benzyl-7-[3,4-dihydro-2(1H)-isoquinolinyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine

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

8017-7645

Molecular Formula

C20H18N6 (C20 H18 N6)

Compound Name

3-benzyl-7-[3,4-dihydro-2(1H)-isoquinolinyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine

IUPAC name

2-{3-benzyl-3H-[123]triazolo[45-d]pyrimidin-7-yl}-1234-tetrahydroisoquinoline

SMILES

C(c1ccccc1)n1nnc2c1ncnc2N(CC1)Cc2c1cccc2

InChI

InChI=1S/C20H18N6/c1-2-6-15(7-3-1)12-26-20-18(23-24-26)19(21-14-22-20)25-11-10-16-8-4-5-9-17(16)13-25/h1-9,14H,10-13H2

InChI Key

PVNRGJFVXNPSCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

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

3.392

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.24

Polar Surface Area

50.151

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-7645 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-7645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7645?
Check Price and Availability of 8017-7645, 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 8017-7645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7645
  • 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 8017-7645 available by request