L479-0131 Screening compound: methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]carbamoyl}methoxy)quinoline-2-carboxylate

L479-0131 Screening compound: methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]carbamoyl}methoxy)quinoline-2-carboxylate
L479-0131 Screening compound: methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]carbamoyl}methoxy)quinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L479-0131
methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]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

L479-0131

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]carbamoyl}methoxy)quinoline-2-carboxylate

IUPAC name

methyl 6-methyl-4-({[3-(methylsulfanyl)phenyl]carbamoyl}methoxy)quinoline-2-carboxylate

SMILES

Cc(cc1c(OCC(Nc2cccc(SC)c2)=O)c2)ccc1nc2C(OC)=O

InChI

InChI=1S/C21H20N2O4S/c1-13-7-8-17-16(9-13)19(11-18(23-17)21(25)26-2)27-12-20(24)22-14-5-4-6-15(10-14)28-3/h4-11H,12H2,1-3H3,(H,22,24)

InChI Key

RQYGCSLVODOITI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27455561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.38

Polar Surface Area

60.207

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L479-0131 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 L479-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L479-0131?
Check Price and Availability of L479-0131, 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 L479-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L479-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L479-0131
  • 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 L479-0131 available by request