7706-0367 Screening compound: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7706-0367 Screening compound: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7706-0367 Screening compound: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0367
8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-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

7706-0367

Molecular Formula

C21H28N6O3 (C21 H28 N6 O3)

Compound Name

8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCN(CC1)CCN1c1nc(N(C)C(N(C)C2=O)=O)c2n1CC(c1ccccc1)O

InChI

InChI=1S/C21H28N6O3/c1-4-25-10-12-26(13-11-25)20-22-18-17(19(29)24(3)21(30)23(18)2)27(20)14-16(28)15-8-6-5-7-9-15/h5-9,16,28H,4,10-14H2,1-3H3/t16-/m0/s1

InChI Key

QPTRHMFBJGKSND-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05689899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

0.250

Water Solubility, LogSw

-2.27

Polar Surface Area

65.386

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

7706-0367 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7706-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0367?
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What is the minimum amount of 7706-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0367
  • 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 7706-0367 available by request