G751-3442 Screening compound: N-(2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

G751-3442 Screening compound: N-(2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
G751-3442 Screening compound: N-(2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-3442
N-(2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

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

G751-3442

Molecular Formula

C25H28N2O2S (C25 H28 N2 O2 S)

Compound Name

N-(2-{[(6,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

IUPAC name

N-(2-{[(68-dimethyl-4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide

SMILES

Cc(cc1C)cc2c1NC(CSc(cccc1)c1NC(C1CCCCC1)=O)=CC2=O

InChI

InChI=1S/C25H28N2O2S/c1-16-12-17(2)24-20(13-16)22(28)14-19(26-24)15-30-23-11-7-6-10-21(23)27-25(29)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3,(H,26,28)(H,27,29)

InChI Key

BXXSLSKUYLQWBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-4.89

Polar Surface Area

45.095

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G751-3442 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 G751-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-3442?
Check Price and Availability of G751-3442, 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 G751-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-3442
  • 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 G751-3442 available by request