6425-0078 Screening compound: 1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

6425-0078 Screening compound: 1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6425-0078 Screening compound: 1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6425-0078
1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

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

6425-0078

Molecular Formula

C24H22F2N4O4S (C24 H22 F2 N4 O4 S)

Compound Name

1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

IUPAC name

1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)formamido]methanethioyl}piperazin-1-yl)-4-oxo-14-dihydroquinoline-3-carboxylic acid

SMILES

CCN(C=C(C(O)=O)C(c1c2)=O)c1cc(N(CC1)CCN1C(NC(c1cc(F)ccc1)=O)=S)c2F

InChI

InChI=1S/C24H22F2N4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-6-8-30(9-7-29)24(35)27-22(32)14-4-3-5-15(25)10-14/h3-5,10-13H,2,6-9H2,1H3,(H,33,34)(H,27,32,35)

InChI Key

HASPBBZZYQNEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.816

Distribution Coefficient, logD

-0.370

Water Solubility, LogSw

-2.69

Polar Surface Area

72.003

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6425-0078 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6425-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6425-0078?
Check Price and Availability of 6425-0078, 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 6425-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6425-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6425-0078
  • 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 6425-0078 available by request