Y041-6636 Screening compound: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazino-1,4-dihydro-3-quinolinecarboxylic acid

Y041-6636 Screening compound: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazino-1,4-dihydro-3-quinolinecarboxylic acid
Y041-6636 Screening compound: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazino-1,4-dihydro-3-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6636
1-cyclopropyl-6-fluoro-4-oxo-7-piperazino-1,4-dihydro-3-quinolinecarboxylic 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

Y041-6636

Molecular Formula

C17H18FN3O3 (C17 H18 FN3 O3)

Compound Name

1-cyclopropyl-6-fluoro-4-oxo-7-piperazino-1,4-dihydro-3-quinolinecarboxylic acid

IUPAC name

1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-14-dihydroquinoline-3-carboxylic acid

SMILES

OC(C(C(c1c2)=O)=CN(C3CC3)c1cc(N1CCNCC1)c2F)=O

InChI

InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

InChI Key

MYSWGUAQZAJSOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00185755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.123

Distribution Coefficient, logD

0.123

Water Solubility, LogSw

-1.72

Polar Surface Area

58.801

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

Y041-6636 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-6636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6636?
Check Price and Availability of Y041-6636, 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 Y041-6636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6636
  • 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 Y041-6636 available by request