L479-0319 Screening compound: methyl 4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate

L479-0319 Screening compound: methyl 4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate
L479-0319 Screening compound: methyl 4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L479-0319
methyl 4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate

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

L479-0319

Molecular Formula

C20H15FN2O6 (C20 H15 FN2 O6)

Compound Name

methyl 4-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate

IUPAC name

methyl 4-{[(2H-13-benzodioxol-5-yl)carbamoyl]methoxy}-6-fluoroquinoline-2-carboxylate

SMILES

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

InChI

InChI=1S/C20H15FN2O6/c1-26-20(25)15-8-17(13-6-11(21)2-4-14(13)23-15)27-9-19(24)22-12-3-5-16-18(7-12)29-10-28-16/h2-8H,9-10H2,1H3,(H,22,24)

InChI Key

DGTHDPTZDAEBRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.62

Polar Surface Area

77.322

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L479-0319 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L479-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L479-0319?
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What is the minimum amount of L479-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L479-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L479-0319
  • 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 L479-0319 available by request