8018-5322 Screening compound: ethyl 2-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2-oxoacetate

8018-5322 Screening compound: ethyl 2-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2-oxoacetate
8018-5322 Screening compound: ethyl 2-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5322
ethyl 2-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2-oxoacetate

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

8018-5322

Molecular Formula

C32H28ClNO7 (C32 H28 ClNO7)

Compound Name

ethyl 2-[2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-3-yl]-2-oxoacetate

IUPAC name

ethyl 2-[2-(4-chlorophenyl)-1-(34-dimethoxyphenyl)-89-dimethoxypyrrolo[21-a]isoquinolin-3-yl]-2-oxoacetate

SMILES

CCOC(C(c(n(ccc(cc1OC)c2cc1OC)c2c1-c(cc2)cc(OC)c2OC)c1-c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C32H28ClNO7/c1-6-41-32(36)31(35)30-27(18-7-10-21(33)11-8-18)28(20-9-12-23(37-2)24(16-20)38-3)29-22-17-26(40-5)25(39-4)15-19(22)13-14-34(29)30/h7-17H,6H2,1-5H3

InChI Key

IVBINSNLOHGLPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.089

Distribution Coefficient, logD

6.089

Water Solubility, LogSw

-6.27

Polar Surface Area

62.672

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-5322 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 8018-5322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5322?
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What is the minimum amount of 8018-5322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5322
  • 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 8018-5322 available by request