C692-0116 Screening compound: 8-[(dibenzylamino)methyl]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0116 Screening compound: 8-[(dibenzylamino)methyl]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0116 Screening compound: 8-[(dibenzylamino)methyl]-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0116
8-[(dibenzylamino)methyl]-3-methyl-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

C692-0116

Molecular Formula

C26H31N5O2 (C26 H31 N5 O2)

Compound Name

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

IUPAC name

8-[(dibenzylamino)methyl]-3-methyl-7-pentyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCn1c(C(NC(N2C)=O)=O)c2nc1CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C26H31N5O2/c1-3-4-11-16-31-22(27-24-23(31)25(32)28-26(33)29(24)2)19-30(17-20-12-7-5-8-13-20)18-21-14-9-6-10-15-21/h5-10,12-15H,3-4,11,16-19H2,1-2H3,(H,28,32,33)

InChI Key

ODPFOIVYWAIBQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.50

Polar Surface Area

56.285

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C692-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0116?
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What is the minimum amount of C692-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0116
  • 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 C692-0116 available by request