Y042-9912 Screening compound: 1-cyclopropyl-7-(3,5-dimethylpiperazino)-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Y042-9912 Screening compound: 1-cyclopropyl-7-(3,5-dimethylpiperazino)-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Y042-9912 Screening compound: 1-cyclopropyl-7-(3,5-dimethylpiperazino)-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9912
1-cyclopropyl-7-(3,5-dimethylpiperazino)-5,6,8-trifluoro-4-oxo-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

Y042-9912

Molecular Formula

C19H20F3N3O3 (C19 H20 F3 N3 O3)

Compound Name

1-cyclopropyl-7-(3,5-dimethylpiperazino)-5,6,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

IUPAC name

1-cyclopropyl-7-(35-dimethylpiperazin-1-yl)-568-trifluoro-4-oxo-14-dihydroquinoline-3-carboxylic acid

SMILES

CC(C1)NC(C)CN1c(c(F)c(c1c2N(C3CC3)C=C(C(O)=O)C1=O)F)c2F

InChI

InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)

InChI Key

QIPQASLPWJVQMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09031273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.38

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

2.177

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.20

Polar Surface Area

59.104

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

References: we are preparing a list of scientific research reports with Y042-9912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9912?
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What is the minimum amount of Y042-9912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9912
  • 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 Y042-9912 available by request