5082-2438 Screening compound: 7-{4-[4-(acetyloxy)benzoyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

5082-2438 Screening compound: 7-{4-[4-(acetyloxy)benzoyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
5082-2438 Screening compound: 7-{4-[4-(acetyloxy)benzoyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5082-2438
7-{4-[4-(acetyloxy)benzoyl]piperazin-1-yl}-1-ethyl-6-fluoro-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

5082-2438

Molecular Formula

C25H24FN3O6 (C25 H24 FN3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCN(C=C(C(O)=O)C(c1c2)=O)c1cc(N(CC1)CCN1C(c(cc1)ccc1OC(C)=O)=O)c2F

InChI

InChI=1S/C25H24FN3O6/c1-3-27-14-19(25(33)34)23(31)18-12-20(26)22(13-21(18)27)28-8-10-29(11-9-28)24(32)16-4-6-17(7-5-16)35-15(2)30/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)

InChI Key

PXKMJQFCCWMDGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.685

Distribution Coefficient, logD

-1.502

Water Solubility, LogSw

-2.43

Polar Surface Area

84.326

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

5082-2438 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5082-2438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5082-2438?
Check Price and Availability of 5082-2438, 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 5082-2438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5082-2438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5082-2438
  • 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 5082-2438 available by request