3009-4118 Screening compound: 4,5,6,7-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3009-4118 Screening compound: 4,5,6,7-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3009-4118 Screening compound: 4,5,6,7-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4118
4,5,6,7-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

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

3009-4118

Molecular Formula

C26H18Cl4N2O5 (C26 H18 Cl4 N2 O5)

Compound Name

4,5,6,7-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4567-tetrachloro-2-[2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

CCOc1ccc(C(C(C2=O)N(C(c(c3c(c(Cl)c4Cl)Cl)c4Cl)=O)C3=O)N2c2cc(OC)ccc2)cc1

InChI

InChI=1S/C26H18Cl4N2O5/c1-3-37-14-9-7-12(8-10-14)22-23(26(35)31(22)13-5-4-6-15(11-13)36-2)32-24(33)16-17(25(32)34)19(28)21(30)20(29)18(16)27/h4-11,22-23H,3H2,1-2H3

InChI Key

NNCYTMBSSWBQKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-7.10

Polar Surface Area

57.523

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3009-4118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4118?
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What is the minimum amount of 3009-4118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4118
  • 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 3009-4118 available by request