8017-9569 Screening compound: ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

8017-9569 Screening compound: ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
8017-9569 Screening compound: ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9569
ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-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

8017-9569

Molecular Formula

C26H25ClN4O4 (C26 H25 ClN4 O4)

Compound Name

ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCN2c2c(ccc(Cl)c3)c3ncc2)=O)C1=O)=O

InChI

InChI=1S/C26H25ClN4O4/c1-2-35-26(34)17-3-6-19(7-4-17)31-24(32)16-23(25(31)33)30-13-11-29(12-14-30)22-9-10-28-21-15-18(27)5-8-20(21)22/h3-10,15,23H,2,11-14,16H2,1H3/t23-/m0/s1

InChI Key

JYDWJAXWSGOTRZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06619469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-4.38

Polar Surface Area

64.464

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8017-9569 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Immunological Library (6760 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 8017-9569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9569?
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What is the minimum amount of 8017-9569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9569
  • 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 8017-9569 available by request