3129-4993 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione

3129-4993 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-2,3-dihydro-1H-isoindole-1,3-dione
3129-4993 Screening compound: 2-[2-(3-bromo-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-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 3129-4993
2-[2-(3-bromo-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-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

3129-4993

Molecular Formula

C24H11BrCl6N2O4 (C24 H11 BrCl6 N2 O4)

Compound Name

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

IUPAC name

2-[2-(3-bromo-4-methoxyphenyl)-1-(35-dichlorophenyl)-4-oxoazetidin-3-yl]-4567-tetrachloro-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc(C(C(C1=O)N(C(c(c(Cl)c2Cl)c3c(Cl)c2Cl)=O)C3=O)N1c1cc(Cl)cc(Cl)c1)c1)c1Br

InChI

InChI=1S/C24H11BrCl6N2O4/c1-37-13-3-2-8(4-12(13)25)20-21(24(36)32(20)11-6-9(26)5-10(27)7-11)33-22(34)14-15(23(33)35)17(29)19(31)18(30)16(14)28/h2-7,20-21H,1H3

InChI Key

IYZHXUPTMOHZHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

683.98

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

6.728

Distribution Coefficient, logD

6.728

Water Solubility, LogSw

-7.54

Polar Surface Area

50.486

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3129-4993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3129-4993?
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What is the minimum amount of 3129-4993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3129-4993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3129-4993
  • 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 3129-4993 available by request