0590-0337 Screening compound: N-[4-(adamantan-1-yl)-2-methylphenyl]-2,4-dichlorobenzamide

0590-0337 Screening compound: N-[4-(adamantan-1-yl)-2-methylphenyl]-2,4-dichlorobenzamide
0590-0337 Screening compound: N-[4-(adamantan-1-yl)-2-methylphenyl]-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0337
N-[4-(adamantan-1-yl)-2-methylphenyl]-2,4-dichlorobenzamide

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

0590-0337

Molecular Formula

C24H25Cl2NO (C24 H25 Cl2 NO)

Compound Name

N-[4-(adamantan-1-yl)-2-methylphenyl]-2,4-dichlorobenzamide

IUPAC name

N-[4-(adamantan-1-yl)-2-methylphenyl]-24-dichlorobenzamide

SMILES

Cc(cc(C1(CC(C2)C3)CC3CC2C1)cc1)c1NC(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C24H25Cl2NO/c1-14-6-18(24-11-15-7-16(12-24)9-17(8-15)13-24)2-5-22(14)27-23(28)20-4-3-19(25)10-21(20)26/h2-6,10,15-17H,7-9,11-13H2,1H3,(H,27,28)

InChI Key

YLHNPYRIAAIWNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.535

Distribution Coefficient, logD

7.524

Water Solubility, LogSw

-6.43

Polar Surface Area

22.394

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

0590-0337 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 0590-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0337?
Check Price and Availability of 0590-0337, 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 0590-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0337
  • 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 0590-0337 available by request