L780-0154 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide

L780-0154 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide
L780-0154 Screening compound: 2-(2,4-dimethylphenoxy)-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L780-0154
2-(2,4-dimethylphenoxy)-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide

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

L780-0154

Molecular Formula

C25H23N3O3S (C25 H23 N3 O3 S)

Compound Name

2-(2,4-dimethylphenoxy)-N-(4-{[(3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide

IUPAC name

2-(24-dimethylphenoxy)-N-(4-{[(3-oxo-34-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)acetamide

SMILES

Cc(cc1)cc(C)c1OCC(Nc(cc1)ccc1SCC1=Nc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C25H23N3O3S/c1-16-7-12-23(17(2)13-16)31-14-24(29)26-18-8-10-19(11-9-18)32-15-22-25(30)28-21-6-4-3-5-20(21)27-22/h3-13H,14-15H2,1-2H3,(H,26,29)(H,28,30)

InChI Key

XKOROBNUMRKHAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.01

Polar Surface Area

63.320

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L780-0154 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 L780-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L780-0154?
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What is the minimum amount of L780-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L780-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L780-0154
  • 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 L780-0154 available by request