C470-0564 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0564 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0564 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0564
8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-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

C470-0564

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCOC)c(CN3CCN(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C22H30N6O3/c1-24-20-19(21(29)25(2)22(24)30)28(13-14-31-3)18(23-20)16-27-11-9-26(10-12-27)15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3

InChI Key

AUEUQXGWWWMPRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.463

Distribution Coefficient, logD

1.194

Water Solubility, LogSw

-1.62

Polar Surface Area

59.546

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C470-0564 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 C470-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C470-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0564
  • 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 C470-0564 available by request