3129-4984 Screening compound: 4,5,6,7-tetrachloro-2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3129-4984 Screening compound: 4,5,6,7-tetrachloro-2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3129-4984 Screening compound: 4,5,6,7-tetrachloro-2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-4984
4,5,6,7-tetrachloro-2-[2-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-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

3129-4984

Molecular Formula

C25H15Cl4FN2O5 (C25 H15 Cl4 FN2 O5)

Compound Name

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

IUPAC name

4567-tetrachloro-2-[2-(34-dimethoxyphenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc(C(C(C1=O)N(C(c(c2c(c(Cl)c3Cl)Cl)c3Cl)=O)C2=O)N1c(cc1)ccc1F)c1)c1OC

InChI

InChI=1S/C25H15Cl4FN2O5/c1-36-13-8-3-10(9-14(13)37-2)21-22(25(35)31(21)12-6-4-11(30)5-7-12)32-23(33)15-16(24(32)34)18(27)20(29)19(28)17(15)26/h3-9,21-22H,1-2H3

InChI Key

OTRAZMACFDGYAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-5.76

Polar Surface Area

58.116

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 3129-4984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4984?
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What is the minimum amount of 3129-4984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4984
  • 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 3129-4984 available by request