E461-0312 Screening compound: 1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0312 Screening compound: 1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0312 Screening compound: 1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0312
1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-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

E461-0312

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

1-methyl-3-[(3-methylphenyl)methyl]-8-phenyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

Cc1cccc(CN(C(c(n2CC3)c(N4C)nc2N3c2ccccc2)=O)C4=O)c1

InChI

InChI=1S/C22H21N5O2/c1-15-7-6-8-16(13-15)14-27-20(28)18-19(24(2)22(27)29)23-21-25(11-12-26(18)21)17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3

InChI Key

NDJKGYIRTZYGKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.34

Polar Surface Area

45.149

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E461-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0312?
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What is the minimum amount of E461-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0312
  • 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 E461-0312 available by request