C470-0769 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0769 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0769 Screening compound: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0769
8-[(dibenzylamino)methyl]-1,3-dimethyl-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

C470-0769

Molecular Formula

C30H31N5O2 (C30 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(CCc3ccccc3)c(CN(Cc3ccccc3)Cc3ccccc3)n1)C2=O

InChI

InChI=1S/C30H31N5O2/c1-32-28-27(29(36)33(2)30(32)37)35(19-18-23-12-6-3-7-13-23)26(31-28)22-34(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17H,18-22H2,1-2H3

InChI Key

RWEBYOQSXRXXQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-4.90

Polar Surface Area

47.099

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C470-0769 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C470-0769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0769?
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What is the minimum amount of C470-0769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0769
  • 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 C470-0769 available by request