8012-3118 Screening compound: 1,3-dibenzyl-2-(3-nitrophenyl)-1,3-diazinane

8012-3118 Screening compound: 1,3-dibenzyl-2-(3-nitrophenyl)-1,3-diazinane
8012-3118 Screening compound: 1,3-dibenzyl-2-(3-nitrophenyl)-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3118
1,3-dibenzyl-2-(3-nitrophenyl)-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

8012-3118

Molecular Formula

C24H25N3O2 (C24 H25 N3 O2)

Compound Name

1,3-dibenzyl-2-(3-nitrophenyl)-1,3-diazinane

IUPAC name

13-dibenzyl-2-(3-nitrophenyl)-13-diazinane

SMILES

[O-][N+](c1cc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)ccc1)=O

InChI

InChI=1S/C24H25N3O2/c28-27(29)23-14-7-13-22(17-23)24-25(18-20-9-3-1-4-10-20)15-8-16-26(24)19-21-11-5-2-6-12-21/h1-7,9-14,17,24H,8,15-16,18-19H2

InChI Key

SMDKXZCYBNATBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.96

Polar Surface Area

40.094

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-3118 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8012-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3118?
Check Price and Availability of 8012-3118, 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 8012-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3118
  • 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 8012-3118 available by request