3061-4412 Screening compound: 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione

3061-4412 Screening compound: 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione
3061-4412 Screening compound: 2-[2-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3061-4412
2-[2-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-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

3061-4412

Molecular Formula

C25H14BrCl4FN2O4 (C25 H14 BrCl4 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(N(C(C1N(C(c(c(Cl)c2Cl)c3c(Cl)c2Cl)=O)C3=O)c(cc(cc2)Br)c2OC)C1=O)c1)c1F

InChI

InChI=1S/C25H14BrCl4FN2O4/c1-9-3-5-11(8-13(9)31)32-21(12-7-10(26)4-6-14(12)37-2)22(25(32)36)33-23(34)15-16(24(33)35)18(28)20(30)19(29)17(15)27/h3-8,21-22H,1-2H3

InChI Key

AEAJKSZKWQAAGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

647.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.497

Distribution Coefficient, logD

6.497

Water Solubility, LogSw

-7.42

Polar Surface Area

50.486

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 3061-4412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3061-4412?
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What is the minimum amount of 3061-4412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3061-4412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3061-4412
  • 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 3061-4412 available by request