L780-0061 Screening compound: N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

L780-0061 Screening compound: N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
L780-0061 Screening compound: N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L780-0061
N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

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

L780-0061

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

IUPAC name

N-(4-{[(67-dimethyl-3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

SMILES

Cc(c(C)c1)cc(N2)c1N=C(CSc(cc1)ccc1NC(C1CCCCC1)=O)C2=O

InChI

InChI=1S/C24H27N3O2S/c1-15-12-20-21(13-16(15)2)27-24(29)22(26-20)14-30-19-10-8-18(9-11-19)25-23(28)17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,25,28)(H,27,29)

InChI Key

UKHLDOOLEVHNIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

5.017

Water Solubility, LogSw

-4.60

Polar Surface Area

56.140

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L780-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L780-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L780-0061?
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What is the minimum amount of L780-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L780-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L780-0061
  • 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 L780-0061 available by request