L971-0105 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea

L971-0105 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea
L971-0105 Screening compound: 1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L971-0105
1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea

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

L971-0105

Molecular Formula

C27H26N4O2S (C27 H26 N4 O2 S)

Compound Name

1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea

IUPAC name

1-[3-(methylsulfanyl)phenyl]-3-[4-(morpholin-4-yl)-2-phenylquinolin-6-yl]urea

SMILES

CSc1cc(NC(Nc(ccc2nc(-c3ccccc3)c3)cc2c3N2CCOCC2)=O)ccc1

InChI

InChI=1S/C27H26N4O2S/c1-34-22-9-5-8-20(16-22)28-27(32)29-21-10-11-24-23(17-21)26(31-12-14-33-15-13-31)18-25(30-24)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H2,28,29,32)

InChI Key

LHLRXHMDIPFPNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.501

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.78

Polar Surface Area

51.661

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L971-0105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L971-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L971-0105?
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What is the minimum amount of L971-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L971-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L971-0105
  • 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 L971-0105 available by request