8017-6504 Screening compound: 1-(3-methoxyphenyl)-3-[4-(4-pyridyl)piperidino]dihydro-1H-pyrrole-2,5-dione

8017-6504 Screening compound: 1-(3-methoxyphenyl)-3-[4-(4-pyridyl)piperidino]dihydro-1H-pyrrole-2,5-dione
8017-6504 Screening compound: 1-(3-methoxyphenyl)-3-[4-(4-pyridyl)piperidino]dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6504
1-(3-methoxyphenyl)-3-[4-(4-pyridyl)piperidino]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

8017-6504

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

1-(3-methoxyphenyl)-3-[4-(4-pyridyl)piperidino]dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(3-methoxyphenyl)-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidine-25-dione

SMILES

COc1cccc(N(C(CC2N(CC3)CCC3c3ccncc3)=O)C2=O)c1

InChI

InChI=1S/C21H23N3O3/c1-27-18-4-2-3-17(13-18)24-20(25)14-19(21(24)26)23-11-7-16(8-12-23)15-5-9-22-10-6-15/h2-6,9-10,13,16,19H,7-8,11-12,14H2,1H3/t19-/m0/s1

InChI Key

WBVFVCTXUJZXBN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06617169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-2.05

Polar Surface Area

48.688

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8017-6504 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 8017-6504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6504?
Check Price and Availability of 8017-6504, 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 8017-6504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6504
  • 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 8017-6504 available by request