3091-4751 Screening compound: 4,5,6,7-tetrachloro-2-[2-(2,5-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3091-4751 Screening compound: 4,5,6,7-tetrachloro-2-[2-(2,5-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3091-4751 Screening compound: 4,5,6,7-tetrachloro-2-[2-(2,5-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4751
4,5,6,7-tetrachloro-2-[2-(2,5-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-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

3091-4751

Molecular Formula

C26H15Cl4F3N2O5 (C26 H15 Cl4 F3 N2 O5)

Compound Name

4,5,6,7-tetrachloro-2-[2-(2,5-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4567-tetrachloro-2-[2-(25-dimethoxyphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)cc(C(C(C2=O)N(C(c(c3c(c(Cl)c4Cl)Cl)c4Cl)=O)C3=O)N2c2cc(C(F)(F)F)ccc2)c1OC

InChI

InChI=1S/C26H15Cl4F3N2O5/c1-39-12-6-7-14(40-2)13(9-12)21-22(25(38)34(21)11-5-3-4-10(8-11)26(31,32)33)35-23(36)15-16(24(35)37)18(28)20(30)19(29)17(15)27/h3-9,21-22H,1-2H3

InChI Key

ZVORIYMOBHTXBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.22

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

5.958

Distribution Coefficient, logD

5.958

Water Solubility, LogSw

-7.31

Polar Surface Area

58.030

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3091-4751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4751?
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What is the minimum amount of 3091-4751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4751
  • 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 3091-4751 available by request