D672-0125 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

D672-0125 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
D672-0125 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D672-0125
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

D672-0125

Molecular Formula

C25H30N2O (C25 H30 N2 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)NCCC1=CCCCC1

InChI

InChI=1S/C25H30N2O/c28-25(26-16-14-20-6-2-1-3-7-20)23-12-10-21(11-13-23)18-27-17-15-22-8-4-5-9-24(22)19-27/h4-6,8-13H,1-3,7,14-19H2,(H,26,28)

InChI Key

BRSQWAUMOHGRDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03259066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.413

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.20

Polar Surface Area

28.080

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D672-0125 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D672-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D672-0125?
Check Price and Availability of D672-0125, 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 D672-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D672-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D672-0125
  • 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 D672-0125 available by request