8014-9448 Screening compound: 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

8014-9448 Screening compound: 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
8014-9448 Screening compound: 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9448
1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)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

8014-9448

Molecular Formula

C18H21FN4O3S (C18 H21 FN4 O3 S)

Compound Name

1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

IUPAC name

1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)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)=S)c2F

InChI

InChI=1S/C18H21FN4O3S/c1-3-21-10-12(17(25)26)16(24)11-8-13(19)15(9-14(11)21)22-4-6-23(7-5-22)18(27)20-2/h8-10H,3-7H2,1-2H3,(H,20,27)(H,25,26)

InChI Key

OASKTZHQKRPDKQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.448

Distribution Coefficient, logD

-1.738

Water Solubility, LogSw

-2.14

Polar Surface Area

59.569

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

8014-9448 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9448?
Check Price and Availability of 8014-9448, 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 8014-9448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9448
  • 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 8014-9448 available by request