G751-0597 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methyl-1,4-dihydroquinolin-4-one

G751-0597 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methyl-1,4-dihydroquinolin-4-one
G751-0597 Screening compound: 2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-0597
2-({[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6-methyl-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

G751-0597

Molecular Formula

C19H18N4OS2 (C19 H18 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2c3cc(C)cc2)=CC3=O)nnc1-c1cccs1

InChI

InChI=1S/C19H18N4OS2/c1-3-23-18(17-5-4-8-25-17)21-22-19(23)26-11-13-10-16(24)14-9-12(2)6-7-15(14)20-13/h4-10H,3,11H2,1-2H3,(H,20,24)

InChI Key

LKYQSRWVJRAPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.24

Polar Surface Area

49.779

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G751-0597 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 G751-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-0597?
Check Price and Availability of G751-0597, 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 G751-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-0597
  • 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 G751-0597 available by request