6786-9291 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one

6786-9291 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one
6786-9291 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6786-9291
4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)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

6786-9291

Molecular Formula

C25H22ClNO5 (C25 H22 ClNO5)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one

SMILES

COc(cc1)ccc1OC(C(c(cc1)cc2c1OCO2)N1CCc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C25H22ClNO5/c1-29-19-7-9-20(10-8-19)32-24-23(17-4-11-21-22(14-17)31-15-30-21)27(25(24)28)13-12-16-2-5-18(26)6-3-16/h2-11,14,23-24H,12-13,15H2,1H3

InChI Key

PFDAQMCTBQAWGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.82

Polar Surface Area

47.039

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

6786-9291 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6786-9291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6786-9291?
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What is the minimum amount of 6786-9291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6786-9291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6786-9291
  • 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 6786-9291 available by request