6169-0003 Screening compound: ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

6169-0003 Screening compound: ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
6169-0003 Screening compound: ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6169-0003
ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

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

6169-0003

Molecular Formula

C26H25NO6 (C26 H25 NO6)

Compound Name

ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

IUPAC name

ethyl 4-[3-(4-methoxyphenoxy)-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C1Oc(cc2)ccc2OC)c(cccc2)c2OC)C1=O)=O

InChI

InChI=1S/C26H25NO6/c1-4-32-26(29)17-9-11-18(12-10-17)27-23(21-7-5-6-8-22(21)31-3)24(25(27)28)33-20-15-13-19(30-2)14-16-20/h5-16,23-24H,4H2,1-3H3

InChI Key

VXNKSSUFQWLFIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.64

Polar Surface Area

57.718

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

6169-0003 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 6169-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6169-0003?
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What is the minimum amount of 6169-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6169-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6169-0003
  • 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 6169-0003 available by request