3061-4417 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-fluoro-4-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3061-4417 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-fluoro-4-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3061-4417 Screening compound: 4,5,6,7-tetrachloro-2-[1-(3-fluoro-4-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4417
4,5,6,7-tetrachloro-2-[1-(3-fluoro-4-methylphenyl)-2-oxo-4-(thiophen-2-yl)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

3061-4417

Molecular Formula

C22H11Cl4FN2O3S (C22 H11 Cl4 FN2 O3 S)

Compound Name

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

IUPAC name

4567-tetrachloro-2-[1-(3-fluoro-4-methylphenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc(N(C(C1N(C(c(c2c(c(Cl)c3Cl)Cl)c3Cl)=O)C2=O)c2cccs2)C1=O)c1)c1F

InChI

InChI=1S/C22H11Cl4FN2O3S/c1-8-4-5-9(7-10(8)27)28-18(11-3-2-6-33-11)19(22(28)32)29-20(30)12-13(21(29)31)15(24)17(26)16(25)14(12)23/h2-7,18-19H,1H3

InChI Key

DWPGKWUSPZGYOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.22

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

5.202

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-6.81

Polar Surface Area

43.874

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 3061-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3061-4417?
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What is the minimum amount of 3061-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4417
  • 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 3061-4417 available by request