8010-0279 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane

8010-0279 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane
8010-0279 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0279
2-(2H-1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane

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

8010-0279

Molecular Formula

C25H26N2O2 (C25 H26 N2 O2)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-1,3-dibenzyl-1,3-diazinane

IUPAC name

2-(2H-13-benzodioxol-5-yl)-13-dibenzyl-13-diazinane

SMILES

C(c1ccccc1)N1C(c(cc2)cc3c2OCO3)N(Cc2ccccc2)CCC1

InChI

InChI=1S/C25H26N2O2/c1-3-8-20(9-4-1)17-26-14-7-15-27(18-21-10-5-2-6-11-21)25(26)22-12-13-23-24(16-22)29-19-28-23/h1-6,8-13,16,25H,7,14-15,17-19H2

InChI Key

WYMDIENOQKSIOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01896057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.94

Polar Surface Area

23.828

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

8010-0279 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8010-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0279?
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What is the minimum amount of 8010-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0279
  • 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 8010-0279 available by request