1291-4064 Screening compound: 2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindole-1,3-dione

1291-4064 Screening compound: 2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindole-1,3-dione
1291-4064 Screening compound: 2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1291-4064
2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-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

1291-4064

Molecular Formula

C27H27NO3 (C27 H27 NO3)

Compound Name

2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{2-[3-(4-methylphenyl)adamantan-1-yl]-2-oxoethyl}-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23C(CN(C(c2c3cccc2)=O)C3=O)=O)cc1

InChI

InChI=1S/C27H27NO3/c1-17-6-8-20(9-7-17)26-11-18-10-19(12-26)14-27(13-18,16-26)23(29)15-28-24(30)21-4-2-3-5-22(21)25(28)31/h2-9,18-19H,10-16H2,1H3

InChI Key

HFZNBHHPWSMFOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

6.034

Water Solubility, LogSw

-5.61

Polar Surface Area

42.500

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

-10.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

1291-4064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 1291-4064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1291-4064?
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What is the minimum amount of 1291-4064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1291-4064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1291-4064
  • 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 1291-4064 available by request