8016-0364 Screening compound: 3-(2-chlorobenzyl)-7-(1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

8016-0364 Screening compound: 3-(2-chlorobenzyl)-7-(1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
8016-0364 Screening compound: 3-(2-chlorobenzyl)-7-(1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0364
3-(2-chlorobenzyl)-7-(1-pyrrolidinyl)-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

8016-0364

Molecular Formula

C15H15ClN6 (C15 H15 ClN6)

Compound Name

3-(2-chlorobenzyl)-7-(1-pyrrolidinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

IUPAC name

1-{3-[(2-chlorophenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-yl}pyrrolidine

SMILES

Clc1c(Cn2nnc3c(N4CCCC4)ncnc23)cccc1

InChI

InChI=1S/C15H15ClN6/c16-12-6-2-1-5-11(12)9-22-15-13(19-20-22)14(17-10-18-15)21-7-3-4-8-21/h1-2,5-6,10H,3-4,7-9H2

InChI Key

WIGRRKPGHRGTMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05251549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.78

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

2.976

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.33

Polar Surface Area

50.855

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8016-0364 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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 8016-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0364?
Check Price and Availability of 8016-0364, 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 8016-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0364
  • 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 8016-0364 available by request