3271-0177 Screening compound: 2-(2-methoxyphenyl)-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

3271-0177 Screening compound: 2-(2-methoxyphenyl)-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
3271-0177 Screening compound: 2-(2-methoxyphenyl)-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3271-0177
2-(2-methoxyphenyl)-4,7-diphenyl-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

3271-0177

Molecular Formula

C27H23NO3 (C27 H23 NO3)

Compound Name

2-(2-methoxyphenyl)-4,7-diphenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-methoxyphenyl)-47-diphenyl-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

COc(cccc1)c1N(C(C(C1C(C=C2)c3ccccc3)C2c2ccccc2)=O)C1=O

InChI

InChI=1S/C27H23NO3/c1-31-23-15-9-8-14-22(23)28-26(29)24-20(18-10-4-2-5-11-18)16-17-21(25(24)27(28)30)19-12-6-3-7-13-19/h2-17,20-21,24-25H,1H3

InChI Key

CIZSTSGGCAXLQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00338231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.54

Polar Surface Area

35.858

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

18.50

3271-0177 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3271-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3271-0177?
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What is the minimum amount of 3271-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3271-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3271-0177
  • 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 3271-0177 available by request