4950-0002 Screening compound: 2-(2,4-dimethoxybenzoyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

4950-0002 Screening compound: 2-(2,4-dimethoxybenzoyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
4950-0002 Screening compound: 2-(2,4-dimethoxybenzoyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4950-0002
2-(2,4-dimethoxybenzoyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

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

4950-0002

Molecular Formula

C21H25NO5 (C21 H25 NO5)

Compound Name

2-(2,4-dimethoxybenzoyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(24-dimethoxybenzoyl)-67-dimethoxy-1-methyl-1234-tetrahydroisoquinoline

SMILES

CC(c(cc1OC)c(CC2)cc1OC)N2C(c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C21H25NO5/c1-13-17-12-20(27-5)19(26-4)10-14(17)8-9-22(13)21(23)16-7-6-15(24-2)11-18(16)25-3/h6-7,10-13H,8-9H2,1-5H3/t13-/m0/s1

InChI Key

TWMROMDJQIIQTB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02030278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-3.17

Polar Surface Area

46.159

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

4950-0002 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4950-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4950-0002?
Check Price and Availability of 4950-0002, 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 4950-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4950-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4950-0002
  • 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 4950-0002 available by request