7282-5751 Screening compound: 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5751 Screening compound: 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5751 Screening compound: 7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5751
7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenoxy)-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

7282-5751

Molecular Formula

C21H19FN4O4 (C21 H19 FN4 O4)

Compound Name

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

IUPAC name

7-[(4-fluorophenyl)methyl]-8-(4-methoxyphenoxy)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3F)c(Oc(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C21H19FN4O4/c1-24-18-17(19(27)25(2)21(24)28)26(12-13-4-6-14(22)7-5-13)20(23-18)30-16-10-8-15(29-3)9-11-16/h4-11H,12H2,1-3H3

InChI Key

SJLABNXESBSOQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05820054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

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

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.29

Polar Surface Area

57.296

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 7282-5751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5751?
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What is the minimum amount of 7282-5751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5751
  • 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 7282-5751 available by request