C470-0055 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-butyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0055 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-butyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0055 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-butyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0055
8-[(4-benzylpiperidin-1-yl)methyl]-7-butyl-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

C470-0055

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

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

IUPAC name

8-[(4-benzylpiperidin-1-yl)methyl]-7-butyl-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H33N5O2/c1-4-5-13-29-20(25-22-21(29)23(30)27(3)24(31)26(22)2)17-28-14-11-19(12-15-28)16-18-9-7-6-8-10-18/h6-10,19H,4-5,11-17H2,1-3H3

InChI Key

WFFGHLCTWYXUOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.06

Polar Surface Area

47.391

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with C470-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0055?
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What is the minimum amount of C470-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0055
  • 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 C470-0055 available by request