7282-5621 Screening compound: 8-(benzylamino)-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5621 Screening compound: 8-(benzylamino)-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5621 Screening compound: 8-(benzylamino)-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5621
8-(benzylamino)-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-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

7282-5621

Molecular Formula

C25H26N6O4 (C25 H26 N6 O4)

Compound Name

8-(benzylamino)-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(benzylamino)-7-{[3-(2-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(C3)ON=C3c(cccc3)c3OC)c(NCc3ccccc3)n1)C2=O

InChI

InChI=1S/C25H26N6O4/c1-29-22-21(23(32)30(2)25(29)33)31(24(27-22)26-14-16-9-5-4-6-10-16)15-17-13-19(28-35-17)18-11-7-8-12-20(18)34-3/h4-12,17H,13-15H2,1-3H3,(H,26,27)/t17-/m1/s1

InChI Key

RYBDMVURCSYDQF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01948284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.86

Polar Surface Area

85.313

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

7282-5621 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7282-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 7282-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5621
  • 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 7282-5621 available by request