7282-5679 Screening compound: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5679 Screening compound: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5679 Screening compound: 1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5679
1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-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

7282-5679

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Oc(cc2)ccc2OC)nc(N(C)C(N2Cc(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C21H19ClN4O4/c1-24-17-18(23-20(24)30-15-10-8-14(29-3)9-11-15)25(2)21(28)26(19(17)27)12-13-6-4-5-7-16(13)22/h4-11H,12H2,1-3H3

InChI Key

PHGPMTYXXIOKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02065108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.39

Polar Surface Area

58.341

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

7282-5679 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7282-5679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5679?
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What is the minimum amount of 7282-5679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5679
  • 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 7282-5679 available by request