3129-4900 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3129-4900 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3129-4900 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3129-4900
4,5,6,7-tetrachloro-2-[1-(3,4-dichlorophenyl)-2-(3-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

3129-4900

Molecular Formula

C23H9Cl6FN2O3 (C23 H9 Cl6 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1c2cc(F)ccc2)N(C(c(c2c(c(Cl)c3Cl)Cl)c3Cl)=O)C2=O)N1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C23H9Cl6FN2O3/c24-11-5-4-10(7-12(11)25)31-19(8-2-1-3-9(30)6-8)20(23(31)35)32-21(33)13-14(22(32)34)16(27)18(29)17(28)15(13)26/h1-7,19-20H

InChI Key

BCNITSJOQAHEJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.342

Distribution Coefficient, logD

6.342

Water Solubility, LogSw

-7.41

Polar Surface Area

42.855

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3129-4900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4900?
Check Price and Availability of 3129-4900, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3129-4900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4900
  • 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 3129-4900 available by request