G751-5663 Screening compound: 2-[({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethyl-1,4-dihydroquinolin-4-one

G751-5663 Screening compound: 2-[({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethyl-1,4-dihydroquinolin-4-one
G751-5663 Screening compound: 2-[({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-5663
2-[({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethyl-1,4-dihydroquinolin-4-one

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

G751-5663

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

2-[({5-[(3,4-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethyl-1,4-dihydroquinolin-4-one

IUPAC name

2-[({5-[(34-dimethylphenoxy)methyl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)methyl]-78-dimethyl-14-dihydroquinolin-4-one

SMILES

CCn1c(SCC(Nc2c3ccc(C)c2C)=CC3=O)nnc1COc1cc(C)c(C)cc1

InChI

InChI=1S/C25H28N4O2S/c1-6-29-23(13-31-20-9-7-15(2)17(4)11-20)27-28-25(29)32-14-19-12-22(30)21-10-8-16(3)18(5)24(21)26-19/h7-12H,6,13-14H2,1-5H3,(H,26,30)

InChI Key

MMXIFEMXMGQKDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.428

Water Solubility, LogSw

-5.41

Polar Surface Area

54.983

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G751-5663 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with G751-5663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-5663?
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What is the minimum amount of G751-5663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-5663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-5663
  • 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 G751-5663 available by request