C155-0373 Screening compound: 4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide

C155-0373 Screening compound: 4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide
C155-0373 Screening compound: 4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0373
4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide

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

C155-0373

Molecular Formula

C31H38N2O2 (C31 H38 N2 O2)

Compound Name

4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide

IUPAC name

4-(adamantan-1-yl)-N-[3-methyl-1-oxo-1-(1234-tetrahydroisoquinolin-2-yl)butan-2-yl]benzamide

SMILES

CC(C)C(C(N(CC1)Cc2c1cccc2)=O)NC(c1ccc(C2(CC(C3)C4)CC4CC3C2)cc1)=O

InChI

InChI=1S/C31H38N2O2/c1-20(2)28(30(35)33-12-11-24-5-3-4-6-26(24)19-33)32-29(34)25-7-9-27(10-8-25)31-16-21-13-22(17-31)15-23(14-21)18-31/h3-10,20-23,28H,11-19H2,1-2H3,(H,32,34)/t21?,22?,23?,28-,31?/m0/s1

InChI Key

ULTCVDZRNCUXEF-YKQFMLTQSA-N

MDL Number (MFCD)

MFCD14723300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.724

Distribution Coefficient, logD

6.724

Water Solubility, LogSw

-5.81

Polar Surface Area

40.347

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.80

C155-0373 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C155-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0373?
Check Price and Availability of C155-0373, 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 C155-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0373
  • 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 C155-0373 available by request