C470-0349 Screening compound: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0349 Screening compound: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0349 Screening compound: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0349
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-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

C470-0349

Molecular Formula

C25H27FN6O2 (C25 H27 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc(cccc3)c3F)c(CN(CC3)CCN3c3ccccc3)n1)C2=O

InChI

InChI=1S/C25H27FN6O2/c1-28-23-22(24(33)29(2)25(28)34)32(16-18-8-6-7-11-20(18)26)21(27-23)17-30-12-14-31(15-13-30)19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3

InChI Key

UWDWFPJCNDJCLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.64

Polar Surface Area

50.673

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C470-0349 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C470-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0349?
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What is the minimum amount of C470-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0349
  • 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 C470-0349 available by request