6957-0024 Screening compound: 1-[5-(2,5-dichlorophenyl)-2-methylfuran-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

6957-0024 Screening compound: 1-[5-(2,5-dichlorophenyl)-2-methylfuran-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline
6957-0024 Screening compound: 1-[5-(2,5-dichlorophenyl)-2-methylfuran-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6957-0024
1-[5-(2,5-dichlorophenyl)-2-methylfuran-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

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

6957-0024

Molecular Formula

C22H19Cl2NO3 (C22 H19 Cl2 NO3)

Compound Name

1-[5-(2,5-dichlorophenyl)-2-methylfuran-3-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

IUPAC name

1-[5-(25-dichlorophenyl)-2-methylfuran-3-yl]-67-dimethoxy-34-dihydroisoquinoline

SMILES

Cc(oc(-c(cc(cc1)Cl)c1Cl)c1)c1C1=NCCc(cc2OC)c1cc2OC

InChI

InChI=1S/C22H19Cl2NO3/c1-12-15(10-19(28-12)17-9-14(23)4-5-18(17)24)22-16-11-21(27-3)20(26-2)8-13(16)6-7-25-22/h4-5,8-11H,6-7H2,1-3H3

InChI Key

RCYDLUNGYKRHFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04182621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-6.14

Polar Surface Area

31.534

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

10.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6957-0024 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6957-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6957-0024?
Check Price and Availability of 6957-0024, 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 6957-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6957-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6957-0024
  • 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 6957-0024 available by request