6284-0009 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

6284-0009 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
6284-0009 Screening compound: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6284-0009
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)-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

6284-0009

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylphenoxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(2-chlorophenyl)methyl]-13-dimethyl-8-(3-methylphenoxy)-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(Oc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc(cccc2)c2Cl)c1

InChI

InChI=1S/C21H19ClN4O3/c1-13-7-6-9-15(11-13)29-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)12-14-8-4-5-10-16(14)22/h4-11H,12H2,1-3H3

InChI Key

ZMPIQSUGTRHGCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05819683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-5.25

Polar Surface Area

49.752

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6284-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6284-0009?
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What is the minimum amount of 6284-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6284-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6284-0009
  • 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 6284-0009 available by request