L479-0404 Screening compound: methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-2-carboxylate

L479-0404 Screening compound: methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-2-carboxylate
L479-0404 Screening compound: methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L479-0404
methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-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

L479-0404

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-2-carboxylate

IUPAC name

methyl 6-chloro-4-({[(4-methoxyphenyl)methyl]carbamoyl}methoxy)quinoline-2-carboxylate

SMILES

COC(c1cc(OCC(NCc(cc2)ccc2OC)=O)c(cc(cc2)Cl)c2n1)=O

InChI

InChI=1S/C21H19ClN2O5/c1-27-15-6-3-13(4-7-15)11-23-20(25)12-29-19-10-18(21(26)28-2)24-17-8-5-14(22)9-16(17)19/h3-10H,11-12H2,1-2H3,(H,23,25)

InChI Key

ZMOALIOGCVQYSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-4.00

Polar Surface Area

69.072

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L479-0404 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 L479-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L479-0404?
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What is the minimum amount of L479-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L479-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L479-0404
  • 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 L479-0404 available by request