7406-0040 Screening compound: 5-(adamantan-1-yl)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

7406-0040 Screening compound: 5-(adamantan-1-yl)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
7406-0040 Screening compound: 5-(adamantan-1-yl)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7406-0040
5-(adamantan-1-yl)-2-(2,5-dimethoxyphenyl)-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

7406-0040

Molecular Formula

C26H27NO4 (C26 H27 NO4)

Compound Name

5-(adamantan-1-yl)-2-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(adamantan-1-yl)-2-(25-dimethoxyphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)cc(N(C(c2c3cc(C4(CC(C5)C6)CC6CC5C4)cc2)=O)C3=O)c1OC

InChI

InChI=1S/C26H27NO4/c1-30-19-4-6-23(31-2)22(11-19)27-24(28)20-5-3-18(10-21(20)25(27)29)26-12-15-7-16(13-26)9-17(8-15)14-26/h3-6,10-11,15-17H,7-9,12-14H2,1-2H3

InChI Key

AQTOLNBAUQORLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06663572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.318

Distribution Coefficient, logD

6.318

Water Solubility, LogSw

-5.56

Polar Surface Area

43.515

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

-5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

7406-0040 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7406-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7406-0040?
Check Price and Availability of 7406-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7406-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7406-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7406-0040
  • 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 7406-0040 available by request