5224-0064 Screening compound: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5224-0064 Screening compound: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5224-0064 Screening compound: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5224-0064
8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-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

5224-0064

Molecular Formula

C21H30N6O2 (C21 H30 N6 O2)

Compound Name

8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[2-(diethylamino)ethyl]amino}-13-dimethyl-7-(1-phenylethyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(CC)CCNc1nc(N(C)C(N(C)C2=O)=O)c2n1C(C)c1ccccc1

InChI

InChI=1S/C21H30N6O2/c1-6-26(7-2)14-13-22-20-23-18-17(19(28)25(5)21(29)24(18)4)27(20)15(3)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3,(H,22,23)/t15-/m0/s1

InChI Key

XVACPGFHKFDSDD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03417471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

0.241

Water Solubility, LogSw

-3.44

Polar Surface Area

59.066

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

10.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

5224-0064 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5224-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5224-0064?
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What is the minimum amount of 5224-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5224-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5224-0064
  • 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 5224-0064 available by request