5848-3598 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

5848-3598 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
5848-3598 Screening compound: 3-chloro-1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-3598
3-chloro-1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-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

5848-3598

Molecular Formula

C20H17ClN2O2 (C20 H17 ClN2 O2)

Compound Name

3-chloro-1-(2-methylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-chloro-1-(2-methylphenyl)-4-(1234-tetrahydroisoquinolin-2-yl)-25-dihydro-1H-pyrrole-25-dione

SMILES

Cc(cccc1)c1N(C(C(N(CC1)Cc2c1cccc2)=C1Cl)=O)C1=O

InChI

InChI=1S/C20H17ClN2O2/c1-13-6-2-5-9-16(13)23-19(24)17(21)18(20(23)25)22-11-10-14-7-3-4-8-15(14)12-22/h2-9H,10-12H2,1H3

InChI Key

DSUWJOMPVVZZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06008648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.15

Polar Surface Area

31.883

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5848-3598 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5848-3598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-3598?
Check Price and Availability of 5848-3598, 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 5848-3598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-3598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-3598
  • 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 5848-3598 available by request