5720-0013 Screening compound: 8-chloro-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5720-0013 Screening compound: 8-chloro-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5720-0013 Screening compound: 8-chloro-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5720-0013
8-chloro-1,3-dimethyl-7-(2-phenylethyl)-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

5720-0013

Molecular Formula

C15H15ClN4O2 (C15 H15 ClN4 O2)

Compound Name

8-chloro-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

n/a

SMILES

CN(c1c(C(N2C)=O)n(CCc3ccccc3)c(Cl)n1)C2=O

InChI

InChI=1S/C15H15ClN4O2/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChI Key

ZNLKEOWVAAQUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.38

Polar Surface Area

43.902

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5720-0013 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5720-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5720-0013?
Check Price and Availability of 5720-0013, 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 5720-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5720-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5720-0013
  • 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 5720-0013 available by request