5782-4261 Screening compound: 2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

5782-4261 Screening compound: 2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
5782-4261 Screening compound: 2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4261
2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-2,3,3a,4,7,7a-hexahydro-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

5782-4261

Molecular Formula

C23H20BrNO4 (C23 H20 BrNO4)

Compound Name

2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-5-methyl-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

CC(CC1C(N2c(cccc3)c3OCC(c(cc3)ccc3Br)=O)=O)=CCC1C2=O

InChI

InChI=1S/C23H20BrNO4/c1-14-6-11-17-18(12-14)23(28)25(22(17)27)19-4-2-3-5-21(19)29-13-20(26)15-7-9-16(24)10-8-15/h2-10,17-18H,11-13H2,1H3

InChI Key

JNXUHUNTMSFFOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.56

Polar Surface Area

49.332

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-6.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

5782-4261 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5782-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4261?
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What is the minimum amount of 5782-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4261
  • 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 5782-4261 available by request