4737-7461 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

4737-7461 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
4737-7461 Screening compound: 4-(3,4-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4737-7461
4-(3,4-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]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

4737-7461

Molecular Formula

C25H22F3NO4 (C25 H22 F3 NO4)

Compound Name

4-(3,4-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

IUPAC name

4-(34-dimethoxyphenyl)-3-(2-methylphenoxy)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

SMILES

Cc(cccc1)c1OC(C(c(cc1)cc(OC)c1OC)N1c2cccc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C25H22F3NO4/c1-15-7-4-5-10-19(15)33-23-22(16-11-12-20(31-2)21(13-16)32-3)29(24(23)30)18-9-6-8-17(14-18)25(26,27)28/h4-14,22-23H,1-3H3

InChI Key

IUEMEGMNHRAWNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.45

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

5.033

Distribution Coefficient, logD

5.033

Water Solubility, LogSw

-4.90

Polar Surface Area

37.137

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

4737-7461 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4737-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4737-7461?
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What is the minimum amount of 4737-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4737-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4737-7461
  • 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 4737-7461 available by request