8012-5074 Screening compound: 1,3-dibenzyl-2-(6-methylpyridin-2-yl)-1,3-diazinane

8012-5074 Screening compound: 1,3-dibenzyl-2-(6-methylpyridin-2-yl)-1,3-diazinane
8012-5074 Screening compound: 1,3-dibenzyl-2-(6-methylpyridin-2-yl)-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5074
1,3-dibenzyl-2-(6-methylpyridin-2-yl)-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

8012-5074

Molecular Formula

C24H27N3 (C24 H27 N3)

Compound Name

1,3-dibenzyl-2-(6-methylpyridin-2-yl)-1,3-diazinane

IUPAC name

13-dibenzyl-2-(6-methylpyridin-2-yl)-13-diazinane

SMILES

Cc1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)n1

InChI

InChI=1S/C24H27N3/c1-20-10-8-15-23(25-20)24-26(18-21-11-4-2-5-12-21)16-9-17-27(24)19-22-13-6-3-7-14-22/h2-8,10-15,24H,9,16-19H2,1H3

InChI Key

YQHOZXBESYOBGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.32

Polar Surface Area

15.135

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

8012-5074 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-5074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5074?
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What is the minimum amount of 8012-5074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5074
  • 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 8012-5074 available by request