8017-7077 Screening compound: [4-(5,8-dimethoxy-4-methyl-2-quinolyl)piperazino](4-fluorophenyl)methanone

8017-7077 Screening compound: [4-(5,8-dimethoxy-4-methyl-2-quinolyl)piperazino](4-fluorophenyl)methanone
8017-7077 Screening compound: [4-(5,8-dimethoxy-4-methyl-2-quinolyl)piperazino](4-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7077
[4-(5,8-dimethoxy-4-methyl-2-quinolyl)piperazino](4-fluorophenyl)methanone

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

8017-7077

Molecular Formula

C23H24FN3O3 (C23 H24 FN3 O3)

Compound Name

[4-(5,8-dimethoxy-4-methyl-2-quinolyl)piperazino](4-fluorophenyl)methanone

IUPAC name

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-58-dimethoxy-4-methylquinoline

SMILES

Cc(c1c(cc2)OC)cc(N(CC3)CCN3C(c(cc3)ccc3F)=O)nc1c2OC

InChI

InChI=1S/C23H24FN3O3/c1-15-14-20(25-22-19(30-3)9-8-18(29-2)21(15)22)26-10-12-27(13-11-26)23(28)16-4-6-17(24)7-5-16/h4-9,14H,10-13H2,1-3H3

InChI Key

QLSZUYSDGLOYEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06182189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.53

Polar Surface Area

43.973

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

8017-7077 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-7077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7077?
Check Price and Availability of 8017-7077, 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 8017-7077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7077
  • 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 8017-7077 available by request