6835-5782 Screening compound: 1-[5'-(2,5-dichlorophenyl)-4-methyl-[2,2'-bifuran]-5-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline

6835-5782 Screening compound: 1-[5'-(2,5-dichlorophenyl)-4-methyl-[2,2'-bifuran]-5-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline
6835-5782 Screening compound: 1-[5'-(2,5-dichlorophenyl)-4-methyl-[2,2'-bifuran]-5-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5782
1-[5'-(2,5-dichlorophenyl)-4-methyl-[2,2'-bifuran]-5-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

6835-5782

Molecular Formula

C26H21Cl2NO4 (C26 H21 Cl2 NO4)

Compound Name

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

IUPAC name

1-[5'-(25-dichlorophenyl)-4-methyl-[22'-bifuran]-5-yl]-67-dimethoxy-34-dihydroisoquinoline

SMILES

Cc1c(C2=NCCc(cc3OC)c2cc3OC)oc(-c2ccc(-c(cc(cc3)Cl)c3Cl)o2)c1

InChI

InChI=1S/C26H21Cl2NO4/c1-14-10-24(21-7-6-20(32-21)18-12-16(27)4-5-19(18)28)33-26(14)25-17-13-23(31-3)22(30-2)11-15(17)8-9-29-25/h4-7,10-13H,8-9H2,1-3H3

InChI Key

IEHDRPOITCTBAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04188432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.300

Distribution Coefficient, logD

5.677

Water Solubility, LogSw

-6.76

Polar Surface Area

40.512

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

6835-5782 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 6835-5782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5782?
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What is the minimum amount of 6835-5782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5782
  • 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 6835-5782 available by request