L480-0161 Screening compound: methyl 4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-quinolinecarboxylate

L480-0161 Screening compound: methyl 4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-quinolinecarboxylate
L480-0161 Screening compound: methyl 4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L480-0161
methyl 4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-quinolinecarboxylate

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

L480-0161

Molecular Formula

C18H13FN2O4 (C18 H13 FN2 O4)

Compound Name

methyl 4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-quinolinecarboxylate

IUPAC name

methyl 4-[(2H-13-benzodioxol-5-yl)amino]-6-fluoroquinoline-2-carboxylate

SMILES

COC(c1cc(Nc(cc2)cc3c2OCO3)c(cc(cc2)F)c2n1)=O

InChI

InChI=1S/C18H13FN2O4/c1-23-18(22)15-8-14(12-6-10(19)2-4-13(12)21-15)20-11-3-5-16-17(7-11)25-9-24-16/h2-8H,9H2,1H3,(H,20,21)

InChI Key

VYGYATOPDUAKID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.38

Polar Surface Area

55.073

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

L480-0161 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L480-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L480-0161?
Check Price and Availability of L480-0161, 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 L480-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L480-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L480-0161
  • 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 L480-0161 available by request