7894-5269 Screening compound: N-(4-phenylbutan-2-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

7894-5269 Screening compound: N-(4-phenylbutan-2-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
7894-5269 Screening compound: N-(4-phenylbutan-2-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7894-5269
N-(4-phenylbutan-2-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]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

7894-5269

Molecular Formula

C27H30N2O (C27 H30 N2 O)

Compound Name

N-(4-phenylbutan-2-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-(4-phenylbutan-2-yl)-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

CC(CCc1ccccc1)NC(c1ccc(CN(CC2)Cc3c2cccc3)cc1)=O

InChI

InChI=1S/C27H30N2O/c1-21(11-12-22-7-3-2-4-8-22)28-27(30)25-15-13-23(14-16-25)19-29-18-17-24-9-5-6-10-26(24)20-29/h2-10,13-16,21H,11-12,17-20H2,1H3,(H,28,30)/t21-/m0/s1

InChI Key

SDNWNLIXPOKKAI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09440706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.45

Polar Surface Area

27.488

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

7894-5269 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 7894-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7894-5269?
Check Price and Availability of 7894-5269, 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 7894-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7894-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7894-5269
  • 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 7894-5269 available by request