8006-8702 Screening compound: 4-(1,3-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate

8006-8702 Screening compound: 4-(1,3-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate
8006-8702 Screening compound: 4-(1,3-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8702
4-(1,3-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate

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

8006-8702

Molecular Formula

C26H28N2O3 (C26 H28 N2 O3)

Compound Name

4-(1,3-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate

IUPAC name

4-(13-dibenzylimidazolidin-2-yl)-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(C1N(Cc2ccccc2)CCN1Cc1ccccc1)c1)c1OC)=O

InChI

InChI=1S/C26H28N2O3/c1-20(29)31-24-14-13-23(17-25(24)30-2)26-27(18-21-9-5-3-6-10-21)15-16-28(26)19-22-11-7-4-8-12-22/h3-14,17,26H,15-16,18-19H2,1-2H3

InChI Key

BSBGOWMYFJSQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00566518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

2.048

Water Solubility, LogSw

-4.44

Polar Surface Area

35.546

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

8006-8702 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-8702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8702?
Check Price and Availability of 8006-8702, 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 8006-8702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8702
  • 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 8006-8702 available by request