5664-0365 Screening compound: 2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione

5664-0365 Screening compound: 2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
5664-0365 Screening compound: 2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5664-0365
2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-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

5664-0365

Molecular Formula

C25H29NO3 (C25 H29 NO3)

Compound Name

2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]ethyl}-23-dihydro-1H-isoindole-13-dione

SMILES

CCC(C)(C1)OCCC1(CCN(C(c1c2cccc1)=O)C2=O)c1ccc(C)cc1

InChI

InChI=1S/C25H29NO3/c1-4-24(3)17-25(14-16-29-24,19-11-9-18(2)10-12-19)13-15-26-22(27)20-7-5-6-8-21(20)23(26)28/h5-12H,4,13-17H2,1-3H3

InChI Key

CCJRNGSGDXZYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.425

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.31

Polar Surface Area

36.784

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

5664-0365 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 5664-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5664-0365?
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What is the minimum amount of 5664-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5664-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5664-0365
  • 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 5664-0365 available by request