8018-6200 Screening compound: 1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

8018-6200 Screening compound: 1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione
8018-6200 Screening compound: 1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6200
1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

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

8018-6200

Molecular Formula

C28H25ClN2O4 (C28 H25 ClN2 O4)

Compound Name

1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

IUPAC name

1-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-(67-dimethoxy-1234-tetrahydroisoquinolin-2-yl)ethane-12-dione

SMILES

COc1cc(CCN(C2)C(C(c3cn(Cc(cccc4)c4Cl)c4c3cccc4)=O)=O)c2cc1OC

InChI

InChI=1S/C28H25ClN2O4/c1-34-25-13-18-11-12-30(16-20(18)14-26(25)35-2)28(33)27(32)22-17-31(24-10-6-4-8-21(22)24)15-19-7-3-5-9-23(19)29/h3-10,13-14,17H,11-12,15-16H2,1-2H3

InChI Key

JCVLUJSRLQCKBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.98

Polar Surface Area

47.280

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8018-6200 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-6200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6200?
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What is the minimum amount of 8018-6200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6200
  • 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 8018-6200 available by request