L971-0646 Screening compound: 1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-6-yl]urea

L971-0646 Screening compound: 1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-6-yl]urea
L971-0646 Screening compound: 1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L971-0646
1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-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

L971-0646

Molecular Formula

C27H32N4O2 (C27 H32 N4 O2)

Compound Name

1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-6-yl]urea

IUPAC name

1-cyclohexyl-3-[2-(4-methylphenyl)-4-(morpholin-4-yl)quinolin-6-yl]urea

SMILES

Cc(cc1)ccc1-c1cc(N2CCOCC2)c(cc(cc2)NC(NC3CCCCC3)=O)c2n1

InChI

InChI=1S/C27H32N4O2/c1-19-7-9-20(10-8-19)25-18-26(31-13-15-33-16-14-31)23-17-22(11-12-24(23)30-25)29-27(32)28-21-5-3-2-4-6-21/h7-12,17-18,21H,2-6,13-16H2,1H3,(H2,28,29,32)

InChI Key

KOMQAZNJKLBCRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.181

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-5.45

Polar Surface Area

52.708

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L971-0646 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L971-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L971-0646?
Check Price and Availability of L971-0646, 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 L971-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L971-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L971-0646
  • 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 L971-0646 available by request