8017-6497 Screening compound: ethyl 4-{2,5-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate

8017-6497 Screening compound: ethyl 4-{2,5-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate
8017-6497 Screening compound: ethyl 4-{2,5-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6497
ethyl 4-{2,5-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate

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

8017-6497

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

ethyl 4-{2,5-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{25-dioxo-3-[4-(pyridin-4-yl)piperidin-1-yl]pyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCC2c2ccncc2)=O)C1=O)=O

InChI

InChI=1S/C23H25N3O4/c1-2-30-23(29)18-3-5-19(6-4-18)26-21(27)15-20(22(26)28)25-13-9-17(10-14-25)16-7-11-24-12-8-16/h3-8,11-12,17,20H,2,9-10,13-15H2,1H3/t20-/m0/s1

InChI Key

CSRSRGXHZNRMCC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06617162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.29

Polar Surface Area

61.898

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

8017-6497 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with 8017-6497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6497?
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What is the minimum amount of 8017-6497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6497
  • 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 8017-6497 available by request