6786-9301 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one

6786-9301 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one
6786-9301 Screening compound: 4-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6786-9301
4-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one

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

6786-9301

Molecular Formula

C25H24FNO4 (C25 H24 FNO4)

Compound Name

4-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one

IUPAC name

4-(34-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3-(2-methylphenoxy)azetidin-2-one

SMILES

Cc(cccc1)c1OC(C(c(cc1)cc(OC)c1OC)N1Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C25H24FNO4/c1-16-6-4-5-7-20(16)31-24-23(18-10-13-21(29-2)22(14-18)30-3)27(25(24)28)15-17-8-11-19(26)12-9-17/h4-14,23-24H,15H2,1-3H3

InChI Key

BIZKXKSWGKZWSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

4.216

Water Solubility, LogSw

-4.50

Polar Surface Area

37.749

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

6786-9301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6786-9301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6786-9301?
Check Price and Availability of 6786-9301, 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 6786-9301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6786-9301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6786-9301
  • 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 6786-9301 available by request