C470-0748 Screening compound: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0748 Screening compound: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0748 Screening compound: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0748
1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-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

C470-0748

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC1N(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2CCc2ccccc2)CCCC1

InChI

InChI=1S/C22H29N5O2/c1-16-9-7-8-13-26(16)15-18-23-20-19(21(28)25(3)22(29)24(20)2)27(18)14-12-17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3/t16-/m0/s1

InChI Key

LUNAPIQNCVVJLA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04466745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.20

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C470-0748 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C470-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0748?
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What is the minimum amount of C470-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0748
  • 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 C470-0748 available by request