8012-0605 Screening compound: 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-0605 Screening compound: 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-0605 Screening compound: 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0605
7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-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

8012-0605

Molecular Formula

C14H12Cl2N4O3 (C14 H12 Cl2 N4 O3)

Compound Name

7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(24-dichlorophenyl)methyl]-8-hydroxy-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(ccc(Cl)c3)c3Cl)c(O)n1)C2=O

InChI

InChI=1S/C14H12Cl2N4O3/c1-18-11-10(12(21)19(2)14(18)23)20(13(22)17-11)6-7-3-4-8(15)5-9(7)16/h3-5H,6H2,1-2H3,(H,17,22)

InChI Key

SJBMGAWFKNPLNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02327191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

0.740

Water Solubility, LogSw

-3.07

Polar Surface Area

59.817

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8012-0605 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0605?
Check Price and Availability of 8012-0605, 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 8012-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0605
  • 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 8012-0605 available by request