3091-4776 Screening compound: 4,5,6,7-tetrachloro-2-[1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3091-4776 Screening compound: 4,5,6,7-tetrachloro-2-[1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3091-4776 Screening compound: 4,5,6,7-tetrachloro-2-[1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3091-4776
4,5,6,7-tetrachloro-2-[1-(5-fluoro-2-methylphenyl)-2-(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

3091-4776

Molecular Formula

C24H12Cl4F2N2O3 (C24 H12 Cl4 F2 N2 O3)

Compound Name

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

IUPAC name

4567-tetrachloro-2-[1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc(F)c1)c1N(C(C1N(C(c(c2c(c(Cl)c3Cl)Cl)c3Cl)=O)C2=O)c(cc2)ccc2F)C1=O

InChI

InChI=1S/C24H12Cl4F2N2O3/c1-9-2-5-12(30)8-13(9)31-20(10-3-6-11(29)7-4-10)21(24(31)35)32-22(33)14-15(23(32)34)17(26)19(28)18(27)16(14)25/h2-8,20-21H,1H3

InChI Key

XOWYJFOFMTXQAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.18

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

5.664

Distribution Coefficient, logD

5.664

Water Solubility, LogSw

-7.26

Polar Surface Area

42.554

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3091-4776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3091-4776?
Check Price and Availability of 3091-4776, 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 3091-4776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3091-4776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3091-4776
  • 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 3091-4776 available by request