C692-0026 Screening compound: 8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0026 Screening compound: 8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0026 Screening compound: 8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0026
8-[(dibenzylamino)methyl]-7-ethyl-3-methyl-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

C692-0026

Molecular Formula

C23H25N5O2 (C23 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(C(NC(N2C)=O)=O)c2nc1CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C23H25N5O2/c1-3-28-19(24-21-20(28)22(29)25-23(30)26(21)2)16-27(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3,(H,25,29,30)

InChI Key

XKBMSGJNVPHDRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.52

Polar Surface Area

56.031

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C692-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0026?
Check Price and Availability of C692-0026, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C692-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0026
  • 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 C692-0026 available by request