C470-0541 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0541 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0541 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0541
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-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

C470-0541

Molecular Formula

C23H31ClN6O2 (C23 H31 ClN6 O2)

Compound Name

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-13-dimethyl-7-pentyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C23H31ClN6O2/c1-4-5-6-10-30-19(25-21-20(30)22(31)27(3)23(32)26(21)2)16-28-11-13-29(14-12-28)18-9-7-8-17(24)15-18/h7-9,15H,4-6,10-14,16H2,1-3H3

InChI Key

JFIDNVVMCZCIKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.37

Polar Surface Area

50.923

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C470-0541 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C470-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C470-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0541
  • 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 C470-0541 available by request