8018-9157 Screening compound: 3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-1-(4-chlorophenyl)dihydro-1H-pyrrole-2,5-dione

8018-9157 Screening compound: 3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-1-(4-chlorophenyl)dihydro-1H-pyrrole-2,5-dione
8018-9157 Screening compound: 3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-1-(4-chlorophenyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9157
3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-1-(4-chlorophenyl)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

8018-9157

Molecular Formula

C18H19ClN2O2 (C18 H19 ClN2 O2)

Compound Name

3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]-1-(4-chlorophenyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[(3aR7aS)-233a477a-hexahydro-1H-isoindol-2-yl]-1-(4-chlorophenyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N(C2)C[C@@H]3[C@H]2CC=CC3)N1c(cc1)ccc1Cl

InChI

InChI=1S/C18H19ClN2O2/c19-14-5-7-15(8-6-14)21-17(22)9-16(18(21)23)20-10-12-3-1-2-4-13(12)11-20/h1-2,5-8,12-13,16H,3-4,9-11H2/t12-,13+,16?

InChI Key

YLJJCNNSVSAMNO-OCZCAGDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-2.99

Polar Surface Area

32.141

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.44

8018-9157 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9157 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-9157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9157
  • 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 8018-9157 available by request