0542-0009 Screening compound: 8-hydrazinyl-1,3-dimethyl-7-[2-(phenylamino)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

0542-0009 Screening compound: 8-hydrazinyl-1,3-dimethyl-7-[2-(phenylamino)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
0542-0009 Screening compound: 8-hydrazinyl-1,3-dimethyl-7-[2-(phenylamino)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0542-0009
8-hydrazinyl-1,3-dimethyl-7-[2-(phenylamino)ethyl]-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

0542-0009

Molecular Formula

C15H19N7O2 (C15 H19 N7 O2)

Compound Name

8-hydrazinyl-1,3-dimethyl-7-[2-(phenylamino)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-hydrazinyl-13-dimethyl-7-[2-(phenylamino)ethyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCNc3ccccc3)c(NN)n1)C2=O

InChI

InChI=1S/C15H19N7O2/c1-20-12-11(13(23)21(2)15(20)24)22(14(18-12)19-16)9-8-17-10-6-4-3-5-7-10/h3-7,17H,8-9,16H2,1-2H3,(H,18,19)

InChI Key

KLFVNLHDKLXUQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-1.69

Polar Surface Area

89.665

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

0542-0009 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 0542-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0542-0009?
Check Price and Availability of 0542-0009, 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 0542-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0542-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0542-0009
  • 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 0542-0009 available by request