G751-6013 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-ethyl-1,4-dihydroquinolin-4-one

G751-6013 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-ethyl-1,4-dihydroquinolin-4-one
G751-6013 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-ethyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-6013
2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-ethyl-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

G751-6013

Molecular Formula

C23H23ClN4O2S (C23 H23 ClN4 O2 S)

Compound Name

2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-ethyl-1,4-dihydroquinolin-4-one

IUPAC name

2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)methyl]-6-ethyl-14-dihydroquinolin-4-one

SMILES

CCc(cc1)cc2c1NC(CSc1nnc(COc(cccc3)c3Cl)n1CC)=CC2=O

InChI

InChI=1S/C23H23ClN4O2S/c1-3-15-9-10-19-17(11-15)20(29)12-16(25-19)14-31-23-27-26-22(28(23)4-2)13-30-21-8-6-5-7-18(21)24/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)

InChI Key

FIIBVCOMFOOBLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15032048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.39

Polar Surface Area

57.322

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G751-6013 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G751-6013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-6013?
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What is the minimum amount of G751-6013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-6013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-6013
  • 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 G751-6013 available by request