C470-0379 Screening compound: 8-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione

C470-0379 Screening compound: 8-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
C470-0379 Screening compound: 8-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0379
8-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-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

C470-0379

Molecular Formula

C30H32N6O3 (C30 H32 N6 O3)

Compound Name

8-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-13-dimethyl-7-[(naphthalen-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc4ccccc34)c(CN(CC3)CCN3c(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C30H32N6O3/c1-32-28-27(29(37)33(2)30(32)38)36(19-22-9-6-8-21-7-4-5-10-25(21)22)26(31-28)20-34-15-17-35(18-16-34)23-11-13-24(39-3)14-12-23/h4-14H,15-20H2,1-3H3

InChI Key

XZAUEVQWUNFTBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-5.14

Polar Surface Area

57.946

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C470-0379 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C470-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0379?
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What is the minimum amount of C470-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0379
  • 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 C470-0379 available by request