D226-0054 Screening compound: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0054 Screening compound: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0054 Screening compound: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0054
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-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

D226-0054

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[4-(2-hydroxyethyl)piperazin-1-yl]-13-dimethyl-7-(3-phenylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCCc3ccccc3)c(N3CCN(CCO)CC3)n1)C2=O

InChI

InChI=1S/C22H30N6O3/c1-24-19-18(20(30)25(2)22(24)31)28(10-6-9-17-7-4-3-5-8-17)21(23-19)27-13-11-26(12-14-27)15-16-29/h3-5,7-8,29H,6,9-16H2,1-2H3

InChI Key

ZMXGKTSBDLVEGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02983440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.49

Polar Surface Area

66.122

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D226-0054 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 D226-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0054?
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What is the minimum amount of D226-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0054
  • 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 D226-0054 available by request