2516-4946 Screening compound: 1-benzyl-8-hydrazinyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

2516-4946 Screening compound: 1-benzyl-8-hydrazinyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
2516-4946 Screening compound: 1-benzyl-8-hydrazinyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2516-4946
1-benzyl-8-hydrazinyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

2516-4946

Molecular Formula

C14H16N6O2 (C14 H16 N6 O2)

Compound Name

1-benzyl-8-hydrazinyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-benzyl-8-hydrazinyl-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NN)nc(N(C)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C14H16N6O2/c1-18-10-11(16-13(18)17-15)19(2)14(22)20(12(10)21)8-9-6-4-3-5-7-9/h3-7H,8,15H2,1-2H3,(H,16,17)

InChI Key

NSULCCIVCRKHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.800

Distribution Coefficient, logD

0.798

Water Solubility, LogSw

-1.58

Polar Surface Area

80.383

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

2516-4946 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 2516-4946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2516-4946?
Check Price and Availability of 2516-4946, 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 2516-4946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-4946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-4946
  • 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 2516-4946 available by request