Y040-5018 Screening compound: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Y040-5018 Screening compound: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Y040-5018 Screening compound: 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5018
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

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

Y040-5018

Molecular Formula

C24H25FN4O4 (C24 H25 FN4 O4)

Compound Name

7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(3-hydroxyphenyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCN(C=C(C(Nc1cc(O)ccc1)=O)C(c1c2)=O)c1cc(N(CC1)CCN1C(C)=O)c2F

InChI

InChI=1S/C24H25FN4O4/c1-3-27-14-19(24(33)26-16-5-4-6-17(31)11-16)23(32)18-12-20(25)22(13-21(18)27)29-9-7-28(8-10-29)15(2)30/h4-6,11-14,31H,3,7-10H2,1-2H3,(H,26,33)

InChI Key

NMWBWJDZZDHRDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.82

Polar Surface Area

76.614

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

Y040-5018 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-5018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5018?
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What is the minimum amount of Y040-5018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5018
  • 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 Y040-5018 available by request