G751-2588 Screening compound: 2-(4-methylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

G751-2588 Screening compound: 2-(4-methylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
G751-2588 Screening compound: 2-(4-methylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-2588
2-(4-methylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)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

G751-2588

Molecular Formula

C21H18N4O3S2 (C21 H18 N4 O3 S2)

Compound Name

2-(4-methylphenoxy)-N-(5-{[(4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-(4-methylphenoxy)-N-(5-{[(4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

Cc(cc1)ccc1OCC(Nc1nnc(SCC(Nc2c3cccc2)=CC3=O)s1)=O

InChI

InChI=1S/C21H18N4O3S2/c1-13-6-8-15(9-7-13)28-11-19(27)23-20-24-25-21(30-20)29-12-14-10-18(26)16-4-2-3-5-17(16)22-14/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,27)

InChI Key

SVKNBTPVRSUHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.47

Polar Surface Area

78.044

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G751-2588 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G751-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-2588?
Check Price and Availability of G751-2588, 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 G751-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-2588
  • 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 G751-2588 available by request