8017-5528 Screening compound: 7-chloro-4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]quinoline

8017-5528 Screening compound: 7-chloro-4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]quinoline
8017-5528 Screening compound: 7-chloro-4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5528
7-chloro-4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]quinoline

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

8017-5528

Molecular Formula

C26H30ClN3O4 (C26 H30 ClN3 O4)

Compound Name

7-chloro-4-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]quinoline

IUPAC name

7-chloro-4-[4-(345-triethoxybenzoyl)piperazin-1-yl]quinoline

SMILES

CCOc1cc(C(N(CC2)CCN2c2c(ccc(Cl)c3)c3ncc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H30ClN3O4/c1-4-32-23-15-18(16-24(33-5-2)25(23)34-6-3)26(31)30-13-11-29(12-14-30)22-9-10-28-21-17-19(27)7-8-20(21)22/h7-10,15-17H,4-6,11-14H2,1-3H3

InChI Key

HCMRMLOKADGMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

3.849

Water Solubility, LogSw

-4.81

Polar Surface Area

50.326

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8017-5528 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5528?
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What is the minimum amount of 8017-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5528
  • 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 8017-5528 available by request