8018-4529 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-chlorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

8018-4529 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-chlorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline
8018-4529 Screening compound: 1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-chlorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4529
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-chlorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

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

8018-4529

Molecular Formula

C28H23BrClNO4 (C28 H23 BrClNO4)

Compound Name

1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-chlorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

IUPAC name

1-(2-bromo-45-dimethoxyphenyl)-2-(2-chlorophenyl)-89-dimethoxypyrrolo[21-a]isoquinoline

SMILES

COc(c(OC)c1)cc(ccn2cc3-c(cccc4)c4Cl)c1c2c3-c(cc(c(OC)c1)OC)c1Br

InChI

InChI=1S/C28H23BrClNO4/c1-32-23-11-16-9-10-31-15-20(17-7-5-6-8-22(17)30)27(28(31)18(16)12-24(23)33-2)19-13-25(34-3)26(35-4)14-21(19)29/h5-15H,1-4H3

InChI Key

UUFHQXSVHCGPEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.762

Distribution Coefficient, logD

6.762

Water Solubility, LogSw

-6.61

Polar Surface Area

30.460

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8018-4529 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-4529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4529?
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What is the minimum amount of 8018-4529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4529
  • 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 8018-4529 available by request